Molecule ID: 5373941

IUPAC Name: (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid

Description: The molecule is an acetate ester obtained by the formal condensation of the hydroxy group of trans-4-coumaric acid with acetic acid. It is a member of cinnamic acids and a member of phenyl acetates. It derives from a trans-4-coumaric acid.

SMILES: CC(=O)Oc1ccc(/C=C/C(=O)O)cc1

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C][=C][Ring1][O]

InChI: InChI=1S/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.6