Molecule ID: 70680293

IUPAC Name: (E)-5-(4-hydroxy-3-methoxyphenyl)-3-oxopent-4-enoate

Description: The molecule is a 3-oxo monocarboxylic acid anion that is the conjugate base of feruloylacetic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

SMILES: COc1cc(/C=C/C(=O)CC(=O)O)ccc1[O-]

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

InChI: InChI=1S/C12H12O5/c1-17-11-6-8(3-5-10(11)14)2-4-9(13)7-12(15)16/h2-6,14H,7H2,1H3,(H,15,16)/p-1/b4-2+

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 2.1