samarium(3+) ion triacetate

• ChemBase ID: 303024
• Molecular Formular: C6H9O6Sm
• Molecular Mass: 327.49206
• Monoisotopic Mass: 328.95964501
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sm+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Sm+3]
• InChI: InChI=1S/3C2H4O2.Sm/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: JPDBEEUPLFWHAJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: samarium(3+) ion triacetate
• IUPAC Traditional name: samarium(3+) ion triacetate
• Synonyms: Samarium(III) acetate hydrate; 水合乙酸钐

Database IDs

• CAS Number: 17829-86-6
• EC Number: 233-950-1
• MDL Number: MFCD00150124

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: Crystalline Aggregates
• Boiling Point: 300°C
• Density: 1.94

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 是

Product Information

• Purity: 99.9% (REO)