magnesium(2+) ion diformate dihydrate

• ChemBase ID: 108007
• Molecular Formular: C2H6MgO6
• Molecular Mass: 150.37044
• Monoisotopic Mass: 150.00147961
• SMILES: O.O.[Mg+2].[O-]C=O.[O-]C=O
• Canonical SMILES: [O-]C=O.[O-]C=O.O.O.[Mg+2]
• InChI: InChI=1S/2CH2O2.Mg.2H2O/c2*2-1-3;;;/h2*1H,(H,2,3);;2*1H2/q;;+2;;/p-2
• InChIKey: JGEHGXYXBKVHLW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion diformate dihydrate
• IUPAC Traditional name: magnesium(2+) bis(formira) dihydrate
• Synonyms: MAGNESIUM FORMATE

Database IDs

• CAS Number: 6150-82-9
• PubChem SID: 162095062
• PubChem CID: 25021858

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true