aluminium(3+) ion borate

• ChemBase ID: 106793
• Molecular Formular: AlBH3O3
• Molecular Mass: 88.814558
• Monoisotopic Mass: 88.99906299
• SMILES: [AlH3+3].[O-]B([O-])[O-]
• Canonical SMILES: [O-]B([O-])[O-].[AlH3+3]
• InChI: InChI=1S/Al.BO3/c;2-1(3)4/q+3;-3
• InChIKey: OJMOMXZKOWKUTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion borate
• IUPAC Traditional name: aluminium(3+) borate
• Synonyms: ALUMINUM BORATE

Database IDs

• CAS Number: 11121-16-7
• PubChem SID: 162089092
• PubChem CID: 16204948

CALCULATED PROPERTIES

• Acid pKa: 8.698678
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5088733
• LogD (pH = 7.4): -0.52978307
• Log P: -0.5086
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 3.917734 Å^3
• Polar Surface Area: 69.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201440

MP Biomedicals Rare Chemical collection