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

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ChEBI Name 3-(1-cyanoethyl)benzoic acid ChEBI ID CHEBI:85131 Definition Benzoic acid meta-substituted with a 1-cyanoethyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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) InChIKey IRYIYPWRXROPSX-UHFFFAOYSA-N 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) IUPAC Name 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 Type Source 25042713 PubMed citation Europe PMC Last Modified 06 March 2015