Molecule ID: 24197

IUPAC Name: diethyl 2-hydroxybutanedioate

Description: The molecule is a malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively. It has a role as a metabolite.

SMILES: CCOC(=O)CC(O)C(=O)OCC

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

InChI: InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 0.1