aluminium(3+) ion triformate

• ChemBase ID: 110533
• Molecular Formular: C3H6AlO6
• Molecular Mass: 165.057678
• Monoisotopic Mass: 164.99797654
• SMILES: [AlH3+3].[O-]C=O.[O-]C=O.[O-]C=O
• Canonical SMILES: [O-]C=O.[O-]C=O.[O-]C=O.[AlH3+3]
• InChI: InChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
• InChIKey: MJWPFSQVORELDX-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion triformate
• IUPAC Traditional name: aluminium(3+) ion tris(formira); aluminium(3+) tris(formira)
• Synonyms: Aluminium formate; ALUMINUM FORMATE

Database IDs

• CAS Number: 7360-53-4
• EC Number: 230-898-1
• PubChem SID: 162095817
• PubChem CID: 62632
• Chemspider ID: 56385
• Wikipedia Title: Aluminium_formate

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:15-17
• Safety Statements: S:7/8