manganese(2+) ion dibenzoate tetrahydrate

• ChemBase ID: 106949
• Molecular Formular: C14H18MnO8
• Molecular Mass: 369.225969
• Monoisotopic Mass: 369.03821264
• SMILES: O.O.O.O.[Mn+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1
• Canonical SMILES: [O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1.O.O.O.O.[Mn+2]
• InChI: InChI=1S/2C7H6O2.Mn.4H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;;/h2*1-5H,(H,8,9);;4*1H2/q;;+2;;;;/p-2
• InChIKey: YIHQSMBNBPAEJC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: manganese(2+) ion dibenzoate tetrahydrate
• IUPAC Traditional name: manganese(II) dibenzoate tetrahydrate
• Synonyms: MANGANESE BENZOATE

Database IDs

• CAS Number: 636-13-5
• EC Number: 211-251-2
• PubChem SID: 162093028
• PubChem CID: 25021867

CALCULATED PROPERTIES

• Acid pKa: 4.0752335
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19342963
• LogD (pH = 7.4): -1.4835135
• Log P: 1.6308287
• Molar Refractivity: 44.1513 cm^3
• Polarizability: 12.569108 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N)