magnesium(2+) ion dihydrogen carbonate

• ChemBase ID: 128170
• Molecular Formular: C2H2MgO6
• Molecular Mass: 146.33868
• Monoisotopic Mass: 145.97017948
• SMILES: [Mg+2].OC(=O)[O-].OC(=O)[O-]
• Canonical SMILES: [O-]C(=O)O.[O-]C(=O)O.[Mg+2]
• InChI: InChI=1S/2CH2O3.Mg/c2*2-1(3)4;/h2*(H2,2,3,4);/q;;+2/p-2
• InChIKey: QWDJLDTYWNBUKE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion dihydrogen carbonate
• IUPAC Traditional name: magnesium(2+) ion dibicarbonate
• Synonyms: Magnesium bicarbonate; Magnesium bicarbonate

Database IDs

• PubChem SID: 162222484
• PubChem CID: 102204
• Chemspider ID: 92335
• Wikipedia Title: Magnesium_bicarbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 20.3353 cm^3
• Polarizability: 3.759794 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true