Consensus flow list

Identity

Type
Neutral molecule
CAS
4198-90-7
EC
452-810-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Benzonitrile, 3,5-dimethyl-4-hydroxy-

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WFYGXOWFEIOHCZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
IUPAC name chemrof:IUPAC_name Benzonitrile, 3,5-dimethyl-4-hydroxy-
Molecular formula chemrof:molecular_formula C9H9NO
Molecular mass chemrof:molecular_mass 147.177
Monoisotopic mass chemrof:monoisotopic_mass 147.068414
SMILES string chemrof:smiles_string Cc1cc(C#N)cc(C)c1O

Known URLs

9

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=4198-90-7 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194833 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.220 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00194791 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4207620 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FP7F5WF7R4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.866I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20176 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72470583 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cbc1d851-6cd9-49d6-a3b8-31f5fa2c4ccf Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bf3ccf34-60e9-4367-a2c0-90adb9f742c2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
49eb49b9-15fc-4be0-85dd-c85750f9b8b1 Environmental → Air → Indoor EF 3.1 kg 4
28921c1a-3e05-46f3-8674-c75a663b268e Environmental → Air → Long-term EF 3.1 kg 0
72e89eb5-a4ab-4f4f-993c-4532eb52f7a1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
de277174-dc84-4aa4-bfea-180c4992f96e Environmental → Air → Unknown EF 3.1 kg 4
9f273c3e-fe0f-4ae4-9795-e181430ca89f Environmental → Ground → Agricultural EF 3.1 kg 4
0729bf99-3f94-45fa-b82e-d1f87bde5ec6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6cb34570-8102-42de-ac7b-f8564dd8d5f3 Environmental → Ground → Unknown EF 3.1 kg 4
c5a648a9-b809-4ba2-832b-3f2e9a8df985 Environmental → Water → Long-term EF 3.1 kg 0
4977f5e3-f33a-4478-b896-cb70596f781e Environmental → Water → Ocean EF 3.1 kg 4
85639a5d-b0f9-4d08-bb7c-f17dd7e51aa4 Environmental → Water → Surface water EF 3.1 kg 4
094c15d3-1c80-4d7b-8f7c-b1bf2c02e6ee Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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