magnesium(2+) ion carbonate

• ChemBase ID: 128172
• Molecular Formular: CMgO3
• Molecular Mass: 84.3139
• Monoisotopic Mass: 83.96978556
• SMILES: [Mg+2].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[Mg+2]
• InChI: InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
• InChIKey: ZLNQQNXFFQJAID-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion carbonate
• IUPAC Traditional name: magnesium(2+) ion carbonate
• Synonyms: Magnesite; Barringtonite (dihydrate); Nesequehonite (trihydrate); Lansfordite (pentahydrate); Magnesium carbonate

Database IDs

• CAS Number: 546-93-0
• PubChem SID: 162222486
• PubChem CID: 11029
• CHEBI ID: 31793
• ATC CODE: A02AA01; A06AD01
• CHEMBL: 1200736
• Chemspider ID: 10563
• Wikipedia Title: Magnesium_carbonate

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

Physical Property

• Solubility: 0.0106 g/100 mL (25 °C, anhydrous) ; 3.75 g/L (20 °C, pentahydrate) in water; soluble in acid, aqueous CO₂ ; insoluble in acetone, ammonia
• Apperance: white solid ; hygroscopic
• Melting Point: 540 °C decomp. (anydrous) ; 165 °C (trihydrate)
• Flash Point: Non-flammable
• Density: 2.958 g/cm^3 (anhydrous) ; 2.825 g/cm^3 (dihydrate) ; 1.837 g/cm^3 (trihydrate) ; 1.73 g/cm^3 (pentahydrate)
• Refractive Index: 1.717 (anhydrous) ; 1.458 (dihydrate) ; 1.412 (trihydrate)
• Odor: odorless
• Std enthalpy of formation: -1113 kJ/mol
• Std molar entropy: 66 J·mol^-1·K^-1
• Solubility Product (Ksp): 1.0×10^-5

Safety Information

• RTECS: OM2470000
• EU Index: Not listed