Molecule ID: 57339268

IUPAC Name: 4-carboxy-2-hydroxy-6-(3-methylbut-2-enyl)phenolate

Description: The molecule is the dihydroxybenzoate anion formed by loss of a proton from the carboxy group of 3,4-dihydroxy-5-polyprenylbenzoic acid. The major species present at pH 7.3, it is an intermediate in the formation of ubiquinone. It is a conjugate base of a 3,4-dihydroxy-5-polyprenylbenzoic acid.

SMILES: CC(C)=CCc1cc(C(=O)O)cc([O-])c1O

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

InChI: InChI=1S/C12H14O4/c1-7(2)3-4-8-5-9(12(15)16)6-10(13)11(8)14/h3,5-6,13-14H,4H2,1-2H3,(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 3.3