Molecule ID: 553

IUPAC Name: 4-hydroxy-2-oxoheptanedioic acid

Description: The molecule is an oxo dicarboxylic acid consisting of pimelic acid substituted at positions 2 and 4 by oxo and hydroxy groups respectively. It derives from a pimelic acid. It is a conjugate acid of a 4-hydroxy-2-oxoheptanedioate. It is a tautomer of a 2,4-dihydroxyhept-2-enedioic acid.

SMILES: O=C(O)CCC(O)CC(=O)C(=O)O

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

InChI: InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: -1.2