Molecule ID: 146014778

IUPAC Name: 5-chloro-3,6-dioxocyclohexa-1,4-dien-1-olate

Description: The molecule is an organic anion that is the conjugate base of 2-chloro-6-hydroxy-1,4-benzoquinone, obtained from the deprotonation of the hydroxy group. Major microspecies at pH 7.3. It is a conjugate base of a 2-chloro-6-hydroxy-1,4-benzoquinone.

SMILES: O=C1C=C([O-])C(=O)C(Cl)=C1

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

InChI: InChI=1S/C6H3ClO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,9H/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 1.4