Consensus flow list

4-Cyanophenol

fo-d9eedca3b8d92223

Identity

Type
Neutral molecule
CAS
767-00-0
EC
212-175-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 4-Cyanophenol

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CVNOWLNNPYYEOH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
IUPAC name chemrof:IUPAC_name 4-Cyanophenol
Molecular formula chemrof:molecular_formula C7H5NO
Molecular mass chemrof:molecular_mass 119.123
Monoisotopic mass chemrof:monoisotopic_mass 119.03711, 119.037114
SMILES string chemrof:smiles_string N#Cc1ccc(O)cc1

Known URLs

13

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
beilstein beilstein:386130 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=767-00-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38622 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.068 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9052509 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=400524 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL66381 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1S13529YJU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.035J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55940 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/TK4HLHQ2KMGJ enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13019 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27117923 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dced126e-d7c1-42a2-be3f-803e7e6b71ba Environmental → Air → Aircraft cruise height EF 3.1 kg 2
58d8a525-5a09-4872-9fd1-348ba8a91c9c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fa9416ce-b12b-4a2a-9eef-10f10116c4ae Environmental → Air → Indoor EF 3.1 kg 2
e87e3b42-afe5-40f6-b6d2-e64f0d5a05ee Environmental → Air → Long-term EF 3.1 kg 0
e56dddf8-e1b9-45f1-b562-0f1c8f162d9e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
25792930-324f-4c55-9115-210c1a295ecc Environmental → Air → Unknown EF 3.1 kg 2
885396a5-3188-4875-8f93-58eb7c385e72 Environmental → Ground → Agricultural EF 3.1 kg 2
36d9a388-bbf2-487f-8194-6daaa8d0d2be Environmental → Ground → Non-agricultural EF 3.1 kg 2
6511da7c-eff1-495c-8e58-3fc625a1074d Environmental → Ground → Unknown EF 3.1 kg 2
3406c9ff-93a0-40e3-8322-5b0e58babb2a Environmental → Water → Long-term EF 3.1 kg 0
84a3ebef-3913-4ef1-b789-1eb812dd87e8 Environmental → Water → Ocean EF 3.1 kg 2
6cdec930-f5b3-49c4-9f64-c5e12afd1fcd Environmental → Water → Surface water EF 3.1 kg 2
0515f587-c18d-4a72-8b2c-8d9b0fc0785d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=212-175-2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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