Molecule ID: 54728860

IUPAC Name: 4-carboxy-3-hydroxy-2,5,6-trimethylphenolate

Description: The molecule is a dihydroxybenzoate that is the conjugate base of 3,5-dimethylorsellinic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3,5-dimethylorsellinic acid.

SMILES: Cc1c(C)c(C(=O)O)c(O)c(C)c1[O-]

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

InChI: InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 3.0