Brightway Flows 1.0
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4-hydroxy-3,5-dimethoxybenzonitrile

fo-67119f68b53d4f75

Identity

Type
Neutral molecule
CAS
72684-95-8
EC
700-251-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-hydroxy-3,5-dimethoxybenzonitrile

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JKPLQGXXESDJLY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9NO3/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,11H,1-2H3
IUPAC name chemrof:IUPAC_name 4-hydroxy-3,5-dimethoxybenzonitrile
Molecular formula chemrof:molecular_formula C9H9NO3
Molecular mass chemrof:molecular_mass 179.175
Monoisotopic mass chemrof:monoisotopic_mass 179.058243
SMILES string chemrof:smiles_string COc1cc(C#N)cc(OC)c1O

Known URLs

6

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=72684-95-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.267 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60888169 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J972.119C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14381935 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82867701 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5a4080a3-c4ae-4a92-aeea-1cb4ba804571 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
707d2148-b519-46a8-97ad-93bf9cd94bb7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d783b6c1-22a7-4220-ad57-cf9873a513a0 Environmental → Air → Indoor EF 3.1 kg 2
8100e72e-1096-43c5-af5b-93f3698365a6 Environmental → Air → Long-term EF 3.1 kg 0
276edb1b-8329-412e-8701-514c9d85a098 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b7876e1b-334c-4b7d-90f0-63a528b7cf20 Environmental → Air → Unknown EF 3.1 kg 2
14aa41d6-44c6-4fe2-8e01-95b794eccae0 Environmental → Ground → Agricultural EF 3.1 kg 2
f7ae6149-e614-43ae-9254-2a98478dcf6a Environmental → Ground → Non-agricultural EF 3.1 kg 2
93420aa0-1dae-449e-baab-699bfc77e410 Environmental → Ground → Unknown EF 3.1 kg 2
8a6cb1c5-255f-49c2-ac64-10189d87bc2f Environmental → Water → Long-term EF 3.1 kg 0
68083600-6cb2-4af9-b754-d57ce39365e0 Environmental → Water → Ocean EF 3.1 kg 2
5b2626c6-0e70-497f-9a50-f18e896a111c Environmental → Water → Surface water EF 3.1 kg 2
daebe3d4-ed1f-4655-8e83-77c4d62de9b1 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-67119f68b53d4f75",
  "prefLabel": [
    {
      "@value": "4-hydroxy-3,5-dimethoxybenzonitrile",
      "@language": "en",
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        ],
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "3,5-Dimethoxy-4-hydroxybenzonitrile",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Cyano-2,6-dimethoxyphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzonitrile, 4-hydroxy-3,5-dimethoxy-",
      "@language": "en",
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      "provenance": {
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    },
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  "properties": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "created_from": {
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}

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