aluminium(3+) ion tris(prop-2-enoate)

• ChemBase ID: 303644
• Molecular Formular: C9H12AlO6
• Molecular Mass: 243.169518
• Monoisotopic Mass: 243.04492673
• SMILES: C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[AlH3+3]
• Canonical SMILES: C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].[AlH3+3]
• InChI: InChI=1S/3C3H4O2.Al/c3*1-2-3(4)5;/h3*2H,1H2,(H,4,5);/q;;;+3/p-3
• InChIKey: LIQDVINWFSWENU-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tris(prop-2-enoate)
• IUPAC Traditional name: aluminium(3+) ion triacrylate
• Synonyms: Acrylic acid aluminum salt; Aluminum acrylate; 丙烯酸铝

Database IDs

• CAS Number: 15743-20-1
• EC Number: 239-836-8
• MDL Number: MFCD00078421

CALCULATED PROPERTIES

• Acid pKa: 4.7158084
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.31655344
• LogD (pH = 7.4): -2.0941725
• Log P: 0.5329473
• Molar Refractivity: 28.1285 cm^3
• Polarizability: 6.463116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-28-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Hazard statements: H315-H319-H335-H411-H401
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A