Molecule ID: 95298

IUPAC Name: ethyl 2-cyano-2-phenylacetate

Description: The molecule is an alpha-substituted cyanoacetate ester that consists of ethyl cyanoacetate bearing an alpha-phenyl substituent. It is an alpha-substituted cyanoacetate ester and an ethyl ester.

SMILES: CCOC(=O)C(C#N)c1ccccc1

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

InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 50.1 Ų
- LogP: 2.1