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Molecule
Potassium Tantalum Oxide (Ktao3)
CAS: 12030-91-0 · KOTa
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12030-91-0
- Molecular Formula
- KOTa
- Molecular Mass
- 236.05 g/mol
Identifiers
CAS Registry Number
12030-91-0
SMILES
[K].[O].[Ta]
InChI Key
ZAGMXMXCDZMDQR-UHFFFAOYSA-N
InChI
InChI=1S/K.O.Ta
Names and Synonyms
- Potassium Tantalum Oxide (Ktao3) Common Name
- Potassium tantalum oxide (KTaO3) Synonym
- Potassium tantalate (KTaO3) Synonym
- Tantalum potassium oxide (KTaO3) Synonym
- Potassium tantalum trioxide Synonym
- Potassium tantalum oxide (K2Ta2O6) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.05 g/mol | CAS Common Chemistry |
| 236.04500000000002 g/mol | RDKit | |
| 236.045 g/mol | RDKit | |
| 244.109 g/mol | chempirical lib | |
| Density | 7.03 g/cm³ | CAS Common Chemistry |
| 7.025 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 235.9066171 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 236.05 g/mol; density = 7.030 g/mL. Edit any field — others recompute live.
