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1,1,2-trichloropropane

Flow Object IDfo-aa1419035283b754
TypeConsensus
prefLabel
Label Language
1,1,2-trichloropropane en
Alt Labels
Label Language Provenance
2-Chloropropylidene Chloride en —
HCC 260DB en —
Propane, 1,1,2-trichloro- en —
CAS Numbers598-77-6
EC Numbers209-951-8
Changes Applied24

Properties

Predicate Value
InChIKey GRSQYISVQKPZCW-UHFFFAOYSA-N
InChI InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
IUPAC name 1,1,2-trichloropropane, 1,1,2-tris(chloranyl)propane
Molecular formula C3H5Cl3
SMILES CC(C(Cl)Cl)Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
172a16a2… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 0 2
4d9a8790… EF 3.1 kg Environmental → Ground → Agricultural 0 2
4d9a8790… EF 3.1 kg Environmental → Ground → Unknown 0 2
4d9a8790… EF 3.1 kg Environmental → Water → Ocean 0 2
4d9a8790… EF 3.1 kg Environmental → Water → Surface water 0 2
4d9a8790… EF 3.1 kg Environmental → Water → Unknown 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
172a16a2… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
172a16a2… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}
4d9a8790… altLabel — [{"@value":"2-Chloropropylidene Chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"HCC 260DB","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1,1,2-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:598-77-6","https://commonchemistry.cas.org/detail?cas_rn=598-77-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=598-77-6; added Common Chemistry CAS names as altLabel: 2-Chloropropylidene Chloride, HCC 260DB, Propane, 1,1,2-trichloro-; object_uuid=fo-aa1419035283b754
4d9a8790… cas_match_labels — {"598-77-6":"exactMatch"} group_key=1,1,2-trichloropropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-77-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa1419035283b754: {'598-77-6': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-aa1419035283b754",
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      "@language": "en",
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  "altLabel": [
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    {
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H5Cl3"
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3"
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      "rdfs:label": "InChI",
      "provenance": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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