Molecule ID: 33005

IUPAC Name: calcium;oxalate

Description: The molecule is the calcium salt of oxalic acid, which in excess in the urine may lead to formation of oxalate calculi (kidney stones). It contains an oxalate(2-).

SMILES: O=C([O-])C(=O)[O-].[Ca+2]

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][O-1].[Ca+2]

InChI: InChI=1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: nan