magnesium(2+) ion bis(2-hydroxybenzoate) tetrahydrate

• ChemBase ID: 303361
• Molecular Formular: C14H18MgO10
• Molecular Mass: 370.59172
• Monoisotopic Mass: 370.07503848
• SMILES: c1ccc(c(c1)C(=O)[O-])O.c1ccc(c(c1)C(=O)[O-])O.O.O.O.O.[Mg+2]
• Canonical SMILES: [O-]C(=O)c1ccccc1O.[O-]C(=O)c1ccccc1O.O.O.O.O.[Mg+2]
• InChI: InChI=1S/2C7H6O3.Mg.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;;;;/h2*1-4,8H,(H,9,10);;4*1H2/q;;+2;;;;/p-2
• InChIKey: NBQBEWAYWAMLJJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(2-hydroxybenzoate) tetrahydrate
• IUPAC Traditional name: magnesium(2+) ion tetrahydrate disalicylate
• Synonyms: Magnesium salicylate tetrahydrate, tech.; 四水水杨酸镁, tech.

Database IDs

• CAS Number: 18917-95-8
• EC Number: 242-669-3
• MDL Number: MFCD00045815
• Merck Index: 145672

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 46.1322 cm^3
• Polarizability: 13.208861 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water and alcohol
• Apperance: Powder

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否