bicyclo[3.1.1]trimanganoxane

• ChemBase ID: 108619
• Molecular Formular: Mn3O4
• Molecular Mass: 228.811747
• Monoisotopic Mass: 228.79379378
• SMILES: O1[Mn]O[Mn]2O[Mn]1O2
• Canonical SMILES: [Mn]1O[Mn]2O[Mn](O1)O2
• InChI: InChI=1S/3Mn.4O
• InChIKey: GVNFAUMGUISVJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[3.1.1]trimanganoxane
• IUPAC Traditional name: bicyclo[3.1.1]trimanganoxane
• Synonyms: MANGANESE TETROXIDE

Database IDs

• CAS Number: 1309-55-3
• PubChem SID: 162094170
• PubChem CID: 25021876

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8652
• LogD (pH = 7.4): -0.8652
• Log P: -0.8652
• Molar Refractivity: 5.4008 cm^3
• Polarizability: 12.789552 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true