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Molecule
Potassium Niobate
CAS: 12030-85-2 · KNbO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12030-85-2
- Molecular Formula
- KNbO
- Molecular Mass
- 148.00 g/mol
Identifiers
CAS Registry Number
12030-85-2
SMILES
[K].[Nb].[O]
InChI Key
KNSFBWQKSUCTTO-UHFFFAOYSA-N
InChI
InChI=1S/K.Nb.O
Names and Synonyms
- Potassium Niobate Common Name
- Niobium potassium oxide (NbKO3) Synonym
- Potassium niobium trioxide Synonym
- Potassium metaniobate (KNbO3) Synonym
- Niobium potassium oxide (KNbO3) Synonym
- Niobate (NbO31-), potassium Synonym
- Potassium niobate(V) (KNbO3) Synonym
- Potassium niobium oxide (KNbO3) Synonym
- Potassium niobate (KNbO3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.00 g/mol | CAS Common Chemistry |
| 148.00300000000001 g/mol | RDKit | |
| 148.003 g/mol | RDKit | |
| 154.051 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_niobate | CAS Common Chemistry |
| Canonical SMILES | [O].[K].[Nb] | CAS Common Chemistry |
| InChI | InChI=1S/K.Nb.O | CAS Common Chemistry |
| InChI Key | InChIKey=KNSFBWQKSUCTTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1100 °C | CAS Common Chemistry |
| Name | Niobium potassium oxide (NbKO3) | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 147.86499940000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 148.00 g/mol. Edit any field — others recompute live.
