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Potassium Tantalum Oxide (Ktao3)
CAS: 12030-91-0 | KOTa
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12030-91-0
Molecular Formula:
KOTa
Molecular Mass:
236.05 g/mol
Names and Synonyms:
Potassium Tantalum Oxide (Ktao3)
Potassium tantalum oxide (KTaO3)
Potassium tantalate (KTaO3)
Tantalum potassium oxide (KTaO3)
Potassium tantalum trioxide
Potassium tantalum oxide (K2Ta2O6)
Identifiers:
SMILES:
[K].[O].[Ta]
InChI:
InChI=1S/K.O.Ta
Key Properties
Density
7.03 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.05 g/mol | CAS Common Chemistry |
| 236.04500000000002 g/mol | RDKit | |
| 235.9066171 g/mol | RDKit | |
| Density | 7.03 g/cm³ | CAS Common Chemistry |
| 7.025 g/cm3 @ Temp: 25.00-500.00 °C | CAS Common Chemistry | |
| Canonical SMILES | [O].[K].[Ta] | CAS Common Chemistry |
| InChI | InChI=1S/K.O.Ta | CAS Common Chemistry |
| InChI Key | InChIKey=ZAGMXMXCDZMDQR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium tantalum oxide (KTaO3) | 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 | RDKit |
