magnesium(2+) ion butanedioate

• ChemBase ID: 110238
• Molecular Formular: C4H4MgO4
• Molecular Mass: 140.37716
• Monoisotopic Mass: 139.99600031
• SMILES: [Mg+2].[O-]C(=O)CCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCC(=O)[O-].[Mg+2]
• InChI: InChI=1S/C4H6O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H2,(H,5,6)(H,7,8);/q;+2/p-2
• InChIKey: GFKXPVFCUXHGEB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion butanedioate
• IUPAC Traditional name: magnesium(2+) succinate
• Synonyms: MAGNESIUM SUCCINATE

Database IDs

• CAS Number: 33460-47-8
• PubChem SID: 162090501
• PubChem CID: 10219480

CALCULATED PROPERTIES

• Acid pKa: 3.5541666
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.5536554
• LogD (pH = 7.4): -5.4738803
• Log P: -0.39848298
• Molar Refractivity: 45.2112 cm^3
• Polarizability: 9.14473 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true