Molecule ID: 12328

IUPAC Name: 6-methoxy-6-oxohexanoic acid

Description: The molecule is a dicarboxylic acid monoester that is the monomethyl ester of adipic acid. It has a role as a metabolite and a plasticiser.

SMILES: COC(=O)CCCCC(=O)O

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

InChI: InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 0.7