sodium alumanoylolate

• ChemBase ID: 111238
• Molecular Formular: AlHNaO2
• Molecular Mass: 82.978048
• Monoisotopic Mass: 82.96896218
• SMILES: [Na+].[O-][AlH]=O
• Canonical SMILES: [O-][AlH]=O.[Na+]
• InChI: InChI=1S/Al.Na.2O/q;+1;;-1
• InChIKey: DEVGNDIPNXUFLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium alumanoylolate
• IUPAC Traditional name: potassium alumanoylolate
• Synonyms: SODIUM ALUMINATE

Database IDs

• CAS Number: 1302-42-7
• PubChem SID: 162103074
• PubChem CID: 518680

CALCULATED PROPERTIES

• Acid pKa: 13.822034
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5624
• LogD (pH = 7.4): 0.56239986
• Log P: 0.5624
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 3.6723542 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true