Molecule ID: 4650

IUPAC Name: cyclohexa-2,5-diene-1,4-dione

Description: The molecule is the simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. It has a role as a cofactor, a human xenobiotic metabolite and a mouse metabolite.

SMILES: O=C1C=CC(=O)C=C1

SELFIES: [O][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 0.2