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CHEBI:71185 - methyl 3-cyano-2-phenylpropanoate
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ChEBI Ontology
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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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Molfile
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Molfile
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