Molecule ID: 6922778

IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 3,4,5-trimethoxydihydrocinnamic acid, formed by proton loss from the carboxy group. It derives from a propionate. It is a conjugate base of a 3,4,5-trimethoxydihydrocinnamic acid.

SMILES: COc1cc(CCC(=O)[O-])cc(OC)c1OC

SELFIES: [C][O][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][=C][C][Branch1][Ring1][O][C][=C][Ring1][=N][O][C]

InChI: InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: 1.9