Molecule ID: 145944461

IUPAC Name: 4-carboxy-5-hydroxy-2,3-dimethylphenolate

Description: The molecule is a dihydroxybenzoate that is the conjugate base of 5-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 5-methylorsellinic acid.

SMILES: Cc1c([O-])cc(O)c(C(=O)O)c1C

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

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

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