Molecule ID: 69475

IUPAC Name: 3-phenylprop-2-ynoic acid

Description: The molecule is an acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group. It is an alpha,beta-unsaturated monocarboxylic acid, an acetylenic compound and a member of benzenes. It derives from a propynoic acid.

SMILES: O=C(O)C#Cc1ccccc1

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

InChI: InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.0