Molecule ID: 3017884

IUPAC Name: 3-hydroxydecanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3. It has a role as a human urinary metabolite. It is an alpha,omega-dicarboxylic acid and a 3-hydroxy carboxylic acid. It derives from a sebacic acid. It is a conjugate acid of a 3-hydroxysebacate and a 3-hydroxysebacate(2-).

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

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

InChI: InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.8