Molecule ID: 4066086

IUPAC Name: 6-(2-hydroxyethoxy)-6-oxohexanoic acid

Description: The molecule is a dicarboxylic acid monoester obtained by the formal condensation of one of the hydroxy groups of ethylene glycol with one of the carboxy groups of adipic acid. It has a role as a human urinary metabolite. It is a hydroxy monocarboxylic acid and a dicarboxylic acid monoester. It derives from an ethylene glycol and an adipic acid.

SMILES: O=C(O)CCCCC(=O)OCCO

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

InChI: InChI=1S/C8H14O5/c9-5-6-13-8(12)4-2-1-3-7(10)11/h9H,1-6H2,(H,10,11)

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: -0.4