neodymium(3+) ion triacetate

• ChemBase ID: 303799
• Molecular Formular: C6H9NdO6
• Molecular Mass: 321.37206
• Monoisotopic Mass: 318.94763601
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Nd+3]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Nd+3]
• InChI: InChI=1S/3C2H4O2.Nd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: KETUDCKOKOGBJB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: neodymium(3+) ion triacetate
• IUPAC Traditional name: neodymium(3+) ion triacetate
• Synonyms: Neodymium(III) acetate hydrate; 乙酸钕(III)水合物

Database IDs

• CAS Number: 334869-71-5
• MDL Number: MFCD00013040

CALCULATED PROPERTIES

• 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
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99.9% (REO)