Molecule ID: 82163

IUPAC Name: calcium;diacetate;hydrate

Description: The molecule is the monohydrate of calcium acetate. It has a role as a chelator. It contains a calcium acetate.

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

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

InChI: InChI=1S/2C2H4O2.Ca.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2

Molecular Properties:
- Polar Surface Area: 81.3 Ų
- LogP: nan