calcium magnesium(2+) ion dicarbonate

• ChemBase ID: 303664
• Molecular Formular: C2CaMgO6
• Molecular Mass: 184.4008
• Monoisotopic Mass: 183.9171204
• SMILES: C(=O)([O-])[O-].C(=O)([O-])[O-].[Mg+2].[Ca+2]
• Canonical SMILES: [O-]C(=O)[O-].[O-]C(=O)[O-].[Mg+2].[Ca+2]
• InChI: InChI=1S/2CH2O3.Ca.Mg/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;2*+2/p-4
• InChIKey: HHSPVTKDOHQBKF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium magnesium(2+) ion dicarbonate
• IUPAC Traditional name: calcium magnesium(2+) ion dicarbonate
• Synonyms: Dolomite, naturally occurring mineral, grains, approximately 0.06-0.19in; 白云石, 天然矿物, 晶粒, 大约 0.06-0.19in

Database IDs

• CAS Number: 12001-27-3
• MDL Number: MFCD03613593

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 是