Molecule ID: 18464584

IUPAC Name: methyl 3-cyano-2-phenylpropanoate

Description: The molecule is a methyl ester that is methyl phenylacetate substituted at the alpha-position by a cyanomethyl group. It is a nitrile and a methyl ester. It derives from a phenylacetic acid.

SMILES: COC(=O)C(CC#N)c1ccccc1

SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C11H11NO2/c1-14-11(13)10(7-8-12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3

Molecular Properties:
- Polar Surface Area: 50.1 Ų
- LogP: 1.4