Molecule ID: 5459958

IUPAC Name: 7-hydroxy-7-oxoheptanoate

Description: The molecule is a dicarboxylic acid monoanion that is the conjugate base of pimelic acid. It has a role as an Escherichia coli metabolite. It is a dicarboxylic acid monoanion and a pimelate. It is a conjugate base of a pimelic acid. It is a conjugate acid of a pimelate(2-).

SMILES: O=C([O-])CCCCCC(=O)O

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

InChI: InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 1.1