copper(2+) ion diniobiumoylolate

• ChemBase ID: 151119
• Molecular Formular: CuNb2O6
• Molecular Mass: 345.35516
• Monoisotopic Mass: 344.71184122
• SMILES: [O-][Nb](=O)=O.[O-][Nb](=O)=O.[Cu+2]
• Canonical SMILES: [O-][Nb](=O)=O.[O-][Nb](=O)=O.[Cu+2]
• InChI: InChI=1S/Cu.2Nb.6O/q+2;;;;;;;2*-1
• InChIKey: BBXADMAXAWXAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion diniobiumoylolate
• IUPAC Traditional name: copper(2+) ion diniobiumoylolate
• Synonyms: Copper(II) niobate; 铌酸铜

Database IDs

• CAS Number: 12273-00-6
• MDL Number: MFCD00135371
• PubChem SID: 24879037; 162245277
• PubChem CID: 16217085

CALCULATED PROPERTIES

• Acid pKa: -2.0
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5027976
• LogD (pH = 7.4): -3.5028
• Log P: -1.239
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 6.8575673 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: Cu(NbO3)2

DETAILS

Sigma Aldrich - 548499

Packaging
25 g in poly bottle
5 g in glass bottle