potassium niobiumoylolate

• ChemBase ID: 111201
• Molecular Formular: KNbO3
• Molecular Mass: 180.00288
• Monoisotopic Mass: 179.85482854
• SMILES: [K+].[O-][Nb](=O)=O
• Canonical SMILES: [O-][Nb](=O)=O.[K+]
• InChI: InChI=1S/K.Nb.3O/q+1;;;;-1
• InChIKey: UKDIAJWKFXFVFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium niobiumoylolate
• IUPAC Traditional name: potassium ion niobiumoylolate; potassium niobiumoylolate
• Synonyms: Potassium niobate; Potassium niobium oxide, Puratronic®; POTASSIUM METACOLUMBATE; Potassium niobate; 铌酸钾, Puratronic®; 铌酸钾

Database IDs

• CAS Number: 12030-85-2
• EC Number: 234-744-4
• MDL Number: MFCD00049651
• PubChem SID: 24878525; 162103044
• PubChem CID: 23689307

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; Powder

Safety Information

• RTECS: TT3500000
• German water hazard class: 2
• TSCA Listed: 是
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.999% (metals basis)
• Linear Formula: KNbO3

DETAILS

MP Biomedicals - 05218144

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 541206

Packaging
25 g in glass bottle