alumanoylol

• ChemBase ID: 125750
• Molecular Formular: AlH2O2
• Molecular Mass: 60.996218
• Monoisotopic Mass: 60.98701793
• SMILES: O[AlH]=O
• Canonical SMILES: O[AlH]=O
• InChI: InChI=1S/Al.H2O.O/h;1H2;/q+1;;/p-1
• InChIKey: FAHBNUUHRFUEAI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: alumanoylol
• IUPAC Systematic name: Hydroxidooxidoaluminium (additive)
• IUPAC Traditional name: AlO(OH)
• Synonyms: Metaaluminic acid; Aluminium hydroxide oxide

Database IDs

• CAS Number: 24623-77-6
• EC Number: 246-368-8
• PubChem SID: 162220098
• PubChem CID: 32524
• CHEBI ID: 30188
• Chemspider ID: 30148
• Gmelin ID: 463741
• Wikipedia Title: Aluminium_hydroxide_oxide

CALCULATED PROPERTIES

• Acid pKa: 13.822034
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5624
• LogD (pH = 7.4): 0.56239986
• Log P: 0.5624
• Molar Refractivity: 4.0075 cm^3
• Polarizability: 3.7933986 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true