lanthanum(3+) ion triacetate hydrate

• ChemBase ID: 302804
• Molecular Formular: C6H11LaO7
• Molecular Mass: 334.05284
• Monoisotopic Mass: 333.95683069
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[La+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.O.[La+3]
• InChI: InChI=1S/3C2H4O2.La.H2O/c3*1-2(3)4;;/h3*1H3,(H,3,4);;1H2/q;;;+3;/p-3
• InChIKey: YRKCZRMEPGLHRN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: lanthanum(3+) ion triacetate hydrate
• IUPAC Traditional name: lanthanum(3+) ion triacetate hydrate
• Synonyms: Lanthanum(III) acetate sesquihydrate; Lanthanum(III) acetate sesquihydrate, REacton®; 乙酸镧(III)倍半 水合物; 乙酸镧(III)倍半 水合物, REacton®

Database IDs

• CAS Number: 25721-92-0
• EC Number: 213-034-8
• MDL Number: MFCD00013037

CALCULATED PROPERTIES

• 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
• Acid pKa: 4.54344

PROPERTIES

Physical Property

• Apperance: Crystalline; Lump/Powder
• Melting Point: <200°C -1.5H2O

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 是

Product Information

• Purity: 99.9% (REO); 99.99% (REO)