Molecule ID: 785072

IUPAC Name: (E)-3-(2-cyanophenyl)prop-2-enoic acid

Description: The molecule is a cinnamic acid derivative having a cyano substituent at the 2-position of the phenyl ring. It is a conjugate acid of a 2-cyanocinnamate.

SMILES: N#Cc1ccccc1/C=C/C(=O)O

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

InChI: InChI=1S/C10H7NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+

Molecular Properties:
- Polar Surface Area: 61.1 Ų
- LogP: 1.6