CHEBI:71185 - methyl 3-cyano-2-phenylpropanoate

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ChEBI Name methyl 3-cyano-2-phenylpropanoate
ChEBI ID CHEBI:71185
Definition A methyl ester that is methyl phenylacetate substituted at the α-position by a cyanomethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Carine Vaxelaire
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Formula C11H11NO2
Net Charge 0
Average Mass 189.21050
Monoisotopic Mass 189.07898
InChI InChI=1S/C11H11NO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKey POZIFRPMDFGLIW-UHFFFAOYSA-N
SMILES COC(=O)C(CC#N)c1ccccc1
ChEBI Ontology
Outgoing methyl 3-cyano-2-phenylpropanoate (CHEBI:71185) has functional parent phenylacetic acid (CHEBI:30745)
methyl 3-cyano-2-phenylpropanoate (CHEBI:71185) is a methyl ester (CHEBI:25248)
methyl 3-cyano-2-phenylpropanoate (CHEBI:71185) is a nitrile (CHEBI:18379)
IUPAC Name
methyl 3-cyano-2-phenylpropanoate
Synonyms Sources
3-cyano-2-phenylpropanoic acid methyl ester ChEBI
3-cyano-2-phenylpropionic acid methyl ester ChEBI
β-(carbomethoxy)-β-phenylpropionitrile ChEBI
methyl 3-cyano-2-phenylpropanoate UniProt
methyl 3-cyano-2-phenylpropionate ChEBI
Registry Number Type Source
6200817 Reaxys Registry Number Reaxys
Last Modified
06 March 2015