cerium(3+) ion triacetate hydrate

• ChemBase ID: 303040
• Molecular Formular: C6H11CeO7
• Molecular Mass: 335.26334
• Monoisotopic Mass: 334.95591569
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Ce+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.O.[Ce+3]
• InChI: InChI=1S/3C2H4O2.Ce.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: AERUOEZHIAYQQL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cerium(3+) ion triacetate hydrate
• IUPAC Traditional name: cerium(3+) ion triacetate hydrate
• Synonyms: Cerium(III) acetate sesquihydrate; 醋酸铈(III)倍半水合物

Database IDs

• CAS Number: 537-00-8
• EC Number: 208-654-0
• MDL Number: MFCD00051060

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

Physical Property

• Solubility: Soluble in water
• Apperance: Powder
• Melting Point: 308°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 37/38-41
• Safety Statements: 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H315-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.9% (REO)