Molecule ID: 637775

IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid

Description: The molecule is a sinapic acid in which the double bond has trans-configuration. It has a role as a MALDI matrix material and a plant metabolite. It is a conjugate acid of a trans-sinapate.

SMILES: COc1cc(/C=C/C(=O)O)cc(OC)c1O

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

InChI: InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 1.5