zinc(2+) ion diniobiumoylolate

• ChemBase ID: 144837
• Molecular Formular: Nb2O6Zn
• Molecular Mass: 347.18916
• Monoisotopic Mass: 345.71138572
• SMILES: [O-][Nb](=O)=O.[O-][Nb](=O)=O.[Zn+2]
• Canonical SMILES: [O-][Nb](=O)=O.[O-][Nb](=O)=O.[Zn+2]
• InChI: InChI=1S/2Nb.6O.Zn/q;;;;;;2*-1;+2
• InChIKey: RPEUFVJJAJYJSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion diniobiumoylolate
• IUPAC Traditional name: zinc(2+) ion diniobiumoylolate
• Synonyms: Zinc niobate; 铌酸锌

Database IDs

• CAS Number: 12201-66-0
• MDL Number: MFCD00799943
• PubChem SID: 24879043; 162239049
• PubChem CID: 16217088

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

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)

Safety Information

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

Product Information

• Purity: 97%
• Linear Formula: Zn(NbO3)2

DETAILS

Sigma Aldrich - 548588

Packaging
50 g in glass bottle