aluminium(3+) ion carbonate

• ChemBase ID: 125744
• Molecular Formular: CH3AlO3+
• Molecular Mass: 90.014258
• Monoisotopic Mass: 89.98975759
• SMILES: [AlH3+3].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[AlH3+3]
• InChI: InChI=1S/CH2O3.Al/c2-1(3)4;/h(H2,2,3,4);/q;+3/p-2
• InChIKey: BLBTYSAROMXPSY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion carbonate
• IUPAC Traditional name: aluminium(3+) ion carbonate
• Synonyms: Aluminum carbonate; Aluminium carbonate

Database IDs

• CAS Number: 14455-29-9
• PubChem SID: 162220093
• PubChem CID: 16205141
• Chemspider ID: 10606614
• Wikipedia Title: Aluminium_carbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true