Terminology Service for NFDI4Health
methyl 3-cyano-2-phenylpropanoate
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http://purl.obolibrary.org/obo/CHEBI_71185
A methyl ester that is methyl phenylacetate substituted at the alpha-position by a cyanomethyl group.
Term info
Label
methyl 3-cyano-2-phenylpropanoate
Synonyms
- methyl 3-cyano-2-phenylpropanoate
Subsets
3_STAR
charge
0
formula
C11H11NO2
has obo namespace
chebi_ontology
has related synonym
beta-(carbomethoxy)-beta-phenylpropionitrile, 3-cyano-2-phenylpropionic acid methyl ester, 3-cyano-2-phenylpropanoic acid methyl ester, methyl 3-cyano-2-phenylpropionate
id
CHEBI:71185
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
mass
189.21050
monoisotopicmass
189.07898
smiles
COC(=O)C(CC#N)c1ccccc1