calcium bis(2-oxopropanoate)

• ChemBase ID: 296028
• Molecular Formular: C6H6CaO6
• Molecular Mass: 214.18624
• Monoisotopic Mass: 213.97902889
• SMILES: CC(=O)C(=O)[O-].CC(=O)C(=O)[O-].[Ca+2]
• Canonical SMILES: CC(=O)C(=O)[O-].CC(=O)C(=O)[O-].[Ca+2]
• InChI: InChI=1S/2C3H4O3.Ca/c2*1-2(4)3(5)6;/h2*1H3,(H,5,6);/q;;+2/p-2
• InChIKey: UZWMCCLZMHPPKW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium bis(2-oxopropanoate)
• IUPAC Traditional name: calcium dipyruvate
• Synonyms: Pyruvic acid calcium salt, anhydrous; Calcium pyruvate, anhydrous; 丙酮酸钙, 无水

Database IDs

• CAS Number: 52009-14-0
• EC Number: 257-599-9
• MDL Number: MFCD00037199
• PubChem SID: 180681559
• PubChem CID: 9859191

CALCULATED PROPERTIES

• Acid pKa: 2.9301233
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4600048
• LogD (pH = 7.4): -3.4164543
• Log P: 0.06587395
• Molar Refractivity: 28.8268 cm^3
• Polarizability: 6.905475 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%