CHEBI:85131 - 3-(1-cyanoethyl)benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(1-cyanoethyl)benzoic acid
Definition Benzoic acid meta-substituted with a 1-cyanoethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H9NO2
Net Charge 0
Average Mass 175.18400
Monoisotopic Mass 175.06333
InChI InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
SMILES CC(C#N)c1cccc(c1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(1-cyanoethyl)benzoic acid (CHEBI:85131) is a benzoic acids (CHEBI:22723)
3-(1-cyanoethyl)benzoic acid
Synonyms Sources
2-(3-carboxyphenyl)propanenitrile ChEBI
2-(3-carboxyphenyl)propionitrile ChEBI
2-(3-carboxyphenyl)propiononitrile ChEBI
3-(1-Cyanethyl)benzoesäure ChEBI
acide 3-(1-cyanoéthyl)benzoïque ChEBI
m-(1-Cyanoethyl)benzoic acid ChemIDplus
meta-(1-cyanoethyl)benzoic acid ChEBI
Registry Numbers Types Sources
2211707 Reaxys Registry Number Reaxys
5537-71-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25042713 PubMed citation Europe PMC
Last Modified
06 March 2015