Molecule ID: 54694264

IUPAC Name: 2-carboxy-5-hydroxy-3,6-dimethylphenolate

Description: The molecule is a dihydroxybenzoate that is the conjugate base of 3-methylorsellinic acid, obtained by the deprotonation of the carboxy group. It is the major species at pH 7.3. It is a conjugate base of a 3-methylorsellinic acid.

SMILES: Cc1cc([O-])c(C)c(O)c1C(=O)O

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

InChI: InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 2.7