Molecule ID: 54675858

IUPAC Name: 4-carboxy-2-methoxyphenolate

Description: The molecule is a methoxybenzoate that is the conjugate base of vanillic acid. It has a role as a plant metabolite. It is a methoxybenzoate and a monohydroxybenzoate. It is a conjugate base of a vanillic acid.

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

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

InChI: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 2.1