Molecule ID: 11149005

IUPAC Name: [(E)-3-(4-acetyloxyphenyl)prop-2-enyl] acetate

Description: The molecule is an acetate ester that is a diester obtained by the formal condensation of the two hydroxy groups of trans-p-coumaryl alcohol with two molecules of acetic acid respectively. It derives from a trans-p-coumaryl alcohol.

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

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

InChI: InChI=1S/C13H14O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h3-8H,9H2,1-2H3/b4-3+

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