Molecule ID: 225680

IUPAC Name: 4-acetyloxy-3,5-dimethoxybenzoic acid

Description: The molecule is a phenyl acetate obtained by the formal condensation of hydroxy group of syringic acid with acetic acid. It is a dimethoxybenzene, a member of benzoic acids and a member of phenyl acetates. It derives from a syringic acid.

SMILES: COc1cc(C(=O)O)cc(OC)c1OC(C)=O

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

InChI: InChI=1S/C11H12O6/c1-6(12)17-10-8(15-2)4-7(11(13)14)5-9(10)16-3/h4-5H,1-3H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 82.1 Ų
- LogP: 1.1