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1-(4-chlorophenyl)-2-cyclopropylpropan-1-one

fo-f54b2cf8a338a14f

Identity

Type
Neutral molecule
CAS
123989-29-7
EC
602-964-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LRWCURGZPQWMRG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H13ClO/c1-8(9-2-3-9)12(14)10-4-6-11(13)7-5-10/h4-9H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name 1-(4-chlorophenyl)-2-cyclopropylpropan-1-one
Molecular formula chemrof:molecular_formula C12H13ClO
Molecular mass chemrof:molecular_mass 208.688
Monoisotopic mass chemrof:monoisotopic_mass 208.065493
SMILES string chemrof:smiles_string CC(C(=O)c1ccc(Cl)cc1)C1CC1

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=123989-29-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.175 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10542027 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13488619 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72456725 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1ae6642a-60f8-4473-b3e1-a631826c3b5a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
24c056ad-0dce-426f-b034-7d88de745ec9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
121f3060-cbe3-4e83-8b8e-024be1220fa8 Environmental → Air → Indoor EF 3.1 kg 2
0fc51ee1-49e6-4fa4-8d8f-0c943188c090 Environmental → Air → Long-term EF 3.1 kg 0
e99156a9-60c2-4601-a1f1-89042d111ca6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
286f2970-16aa-4fc8-a863-56eeb8de5de3 Environmental → Air → Unknown EF 3.1 kg 2
5246b176-9552-41a4-be63-bf2b5a04cadf Environmental → Ground → Agricultural EF 3.1 kg 2
49afac14-3f8c-4f55-9c23-f06037946940 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5576ebbf-0485-4571-8748-8a52281abc20 Environmental → Ground → Unknown EF 3.1 kg 2
8aa30f45-cab1-42a9-bc94-b6021d419b2d Environmental → Water → Long-term EF 3.1 kg 0
e9371444-876c-4689-b5ff-6e1a37f27fde Environmental → Water → Ocean EF 3.1 kg 2
52528e8e-6de6-4f40-8487-80b4176eb7a9 Environmental → Water → Surface water EF 3.1 kg 2
749fc08a-bd6a-4a40-991b-9f643b94be10 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f54b2cf8a338a14f",
  "prefLabel": [
    {
      "@value": "1-(4-chlorophenyl)-2-cyclopropylpropan-1-one",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(4-Chlorophenyl)-2-cyclopropyl-1-propanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanone, 1-(4-chlorophenyl)-2-cyclopropyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  "properties": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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      "provenance": [
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      "attested_by": {
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  },
  "references": [
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0fc51ee1-49e6-4fa4-8d8f-0c943188c090",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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