Molecule ID: 444539

IUPAC Name: (E)-3-phenylprop-2-enoic acid

Description: The molecule is a monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. It has a role as a plant metabolite. It is a member of styrenes and a member of cinnamic acids. It is a conjugate acid of a cinnamate.

SMILES: O=C(O)/C=C/c1ccccc1

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

InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.1