Molecule ID: 54710960

IUPAC Name: 4-[(E)-2-carboxyethenyl]-2,6-dimethoxyphenolate

Description: The molecule is a member of the class of cinnamates that is the conjugate base of trans-sinapic acid. It has a role as a plant metabolite. It is a conjugate base of a trans-sinapic acid.

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-1][=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)/p-1/b4-3+

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: 2.1