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CHEBI:59069 - 2-cyanocinnamic acid

ChEBI IDCHEBI:59069
ChEBI Name2-cyanocinnamic acid
Stars
DefinitionA cinnamic acid derivative having a cyano substituent at the 2-position of the phenyl ring.
Last Modified18 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H7NO2
Net Charge0
Average Mass173.171
Monoisotopic Mass173.04768
SMILES[H]C(=Cc1ccccc1C#N)C(=O)O
InChIInChI=1S/C10H7NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H,12,13)
InChIKeyHQVOPXGNHGTKOD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-cyanocinnamic acid (CHEBI:59069) is a cinnamic acids (CHEBI:23252)
2-cyanocinnamic acid (CHEBI:59069) is conjugate acid of 2-cyanocinnamate (CHEBI:59070)
Incoming Relation(s)
2-cyanocinnamate (CHEBI:59070) is conjugate base of 2-cyanocinnamic acid (CHEBI:59069)
IUPAC Name 
3-(2-cyanophenyl)prop-2-enoic acid
Synonyms  Source
3-(2-cyanophenyl)acrylic acidIUPAC
2-cyano-cinnamic acidChEBI
Manual XrefsDatabases
DE116123Patent
Registry NumbersSources
Beilstein:2614689Beilstein
Citations