magnesium(2+) ion hydrate carbonate

• ChemBase ID: 158603
• Molecular Formular: CH2MgO4
• Molecular Mass: 102.32918
• Monoisotopic Mass: 101.98035024
• SMILES: C(=O)([O-])[O-].O.[Mg+2]
• Canonical SMILES: [O-]C(=O)[O-].O.[Mg+2]
• InChI: InChI=1S/CH2O3.Mg.H2O/c2-1(3)4;;/h(H2,2,3,4);;1H2/q;+2;/p-2
• InChIKey: OUHCLAKJJGMPSW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion hydrate carbonate
• IUPAC Traditional name: magnesium(2+) ion hydrate carbonate
• Synonyms: Magnesium carbonate hydrate; Magnesium carbonate; 碳酸镁 水合物; 碳酸镁

Database IDs

• CAS Number: 23389-33-5
• MDL Number: MFCD00151022
• PubChem SID: 162252739
• PubChem CID: 71376

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

• RTECS: OM2470000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 40.0-43.5% Mg (as MgO) basis
• Suitability: meets USP testing specifications
• Linear Formula: MgCO3 · x H2O