Molecule ID: 6419714

IUPAC Name: 2-hydroxy-3-propan-2-ylbutanedioate

Description: The molecule is a dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 3-isopropylmalic acid. It derives from a succinate(2-). It is a conjugate base of a 3-isopropylmalic acid.

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

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

InChI: InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/p-2

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.3