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4(3h)-pyrimidinone,2-ethoxy-6-hydroxy-

fo-bc2869ec0f6adfe4

Identity

Type
Neutral molecule
CAS
61636-08-6
EC
612-185-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4(3h)-pyrimidinone,2-ethoxy-6-hydroxy-

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XAFQKMFFPFLHAC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)
IUPAC name chemrof:IUPAC_name 2-Ethoxy-4,6-dihydroxypyrimidine
Molecular formula chemrof:molecular_formula C6H8N2O3
Molecular mass chemrof:molecular_mass 156.141
Monoisotopic mass chemrof:monoisotopic_mass 156.053492
SMILES string chemrof:smiles_string CCOc1nc(O)cc(O)n1

Known URLs

4

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=61636-08-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70436610 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10197799 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72471530 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
925b6a3b-51b3-4ca5-99d2-3f0cf329246d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cb133ee9-e021-4a77-9a14-5aa3797abc14 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
716d2c8e-21dc-4382-b4db-86850187d4d6 Environmental → Air → Indoor EF 3.1 kg 2
94e46717-8d39-4b88-b367-8c822cb23eb8 Environmental → Air → Long-term EF 3.1 kg 0
3a43ea82-23eb-45f4-b7b3-bb99842c44ca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a99222f7-16a3-4baa-85be-e7d9b6f3a2c9 Environmental → Air → Unknown EF 3.1 kg 2
70936d3b-d1e7-4947-81bc-d82551205749 Environmental → Ground → Agricultural EF 3.1 kg 2
ff9dd37c-ebd6-43c6-a6ee-0d8fbbef328a Environmental → Ground → Non-agricultural EF 3.1 kg 2
29040050-c3a4-4085-b245-ed37718cd147 Environmental → Ground → Unknown EF 3.1 kg 2
4304864d-e558-444c-9bb7-b4484b3bb806 Environmental → Water → Long-term EF 3.1 kg 0
d0376300-39d9-4a67-805a-acf5c9fa9764 Environmental → Water → Ocean EF 3.1 kg 2
6aa19bd2-ffa5-4492-a5e9-7bbf7b62f344 Environmental → Water → Surface water EF 3.1 kg 2
7400e0e5-1040-41f6-a013-c93667162fe7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-bc2869ec0f6adfe4",
  "prefLabel": [
    {
      "@value": "4(3h)-pyrimidinone,2-ethoxy-6-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethoxy-4,6-dihydroxypyrimidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethoxy-4-hydroxy-1H-pyrimidin-6-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=61636-08-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethoxy-6-hydroxy-4(3H)-pyrimidinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4(1H)-Pyrimidinone, 2-ethoxy-6-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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      ],
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H8N2O3/c1-2-11-6-7-4(9)3-5(10)8-6/h3H,2H2,1H3,(H2,7,8,9,10)"
      ],
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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      },
      "attested_by": {
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    },
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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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",
      "rdfs:label": "Monoisotopic mass",
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      ],
      "provenance": [
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      },
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  },
  "references": [
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      "provenance": {
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    {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[61636-08-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "29040050-c3a4-4085-b245-ed37718cd147",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "@value": [
        "61636-08-6"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=61636-08-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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