Molecule ID: 9543042

IUPAC Name: 2-chloro-3-oxohexanedioate

Description: The molecule is an oxo dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2-chloro-3-oxoadipic acid. Major species at pH 7.3. It is a conjugate base of a 2-chloro-3-oxoadipic acid.

SMILES: O=C([O-])CCC(=O)C(Cl)C(=O)[O-]

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

InChI: InChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 1.1