Molecule ID: 1239842

IUPAC Name: methyl (E)-3-(4-acetyloxyphenyl)prop-2-enoate

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

SMILES: COC(=O)/C=C/c1ccc(OC(C)=O)cc1

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

InChI: InChI=1S/C12H12O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-8H,1-2H3/b8-5+

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.0