aluminium(3+) ion triacetate

• ChemBase ID: 295215
• Molecular Formular: C6H12AlO6
• Molecular Mass: 207.137418
• Monoisotopic Mass: 207.04492673
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[AlH3+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[AlH3+3]
• InChI: InChI=1S/3C2H4O2.Al/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: WCOATMADISNSBV-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion triacetate
• IUPAC Traditional name: aluminium(3+) ion triacetate
• Synonyms: Aluminum acetate, basic hydrate; 碱式乙酸铝水合物

Database IDs

• CAS Number: 142-03-0
• EC Number: 205-518-2
• MDL Number: MFCD00008688
• Merck Index: 14344
• PubChem SID: 180680746
• PubChem CID: 8757

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 是