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

ChEBI IDCHEBI:71185
ChEBI Namemethyl 3-cyano-2-phenylpropanoate
Stars
DefinitionA methyl ester that is methyl phenylacetate substituted at the α-position by a cyanomethyl group.
Last Modified6 March 2015
SubmitterVaxelaire
DownloadsMolfile
FormulaC11H11NO2
Net Charge0
Average Mass189.214
Monoisotopic Mass189.07898
SMILESCOC(=O)C(CC#N)c1ccccc1
InChIInChI=1S/C11H11NO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeyPOZIFRPMDFGLIW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
methyl 3-cyano-2-phenylpropionateChEBI
3-cyano-2-phenylpropanoic acid methyl esterChEBI
β-(carbomethoxy)-β-phenylpropionitrileChEBI
3-cyano-2-phenylpropionic acid methyl esterChEBI
UniProt Name  Source
methyl 3-cyano-2-phenylpropanoateUniProt
Registry NumbersSources
Reaxys:6200817Reaxys