cerium(3+) ion triacetate

• ChemBase ID: 109958
• Molecular Formular: C6H9CeO6
• Molecular Mass: 317.24806
• Monoisotopic Mass: 316.94535101
• SMILES: [Ce+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Ce+3]
• InChI: InChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: VGBWDOLBWVJTRZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cerium(3+) ion triacetate
• IUPAC Traditional name: cerium(3+) tris(acetate ion); cerium(3+) ion triacetate
• Synonyms: CEROUS ACETATE; Cerium(III) acetate hydrate; 醋酸铈(III)水合物

Database IDs

• CAS Number: 17829-82-2; 206996-60-3
• MDL Number: MFCD00051060
• PubChem SID: 162095437
• PubChem CID: 10826

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

• Apperance: Crystalline

Safety Information

• RTECS: AF8490000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 37/38-41; R:36
• Safety Statements: 26-37/39; S:26
• 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: 99.995% (metals basis)

DETAILS

MP Biomedicals - 05213174

MP Biomedicals Rare Chemical collection