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Molecule
Potassium Titanium Oxide (K2Tio3)
CAS: 12030-97-6 · KOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12030-97-6
- Molecular Formula
- KOTi
- Molecular Mass
- 102.96 g/mol
Identifiers
CAS Registry Number
12030-97-6
SMILES
[K].[O].[Ti]
InChI Key
XPXNOVWWKNYYGB-UHFFFAOYSA-N
InChI
InChI=1S/K.O.Ti
Names and Synonyms
- Potassium Titanium Oxide (K2Tio3) Common Name
- Potassium titanium oxide (K2TiO3) Synonym
- Titanate (TiO32-), dipotassium Synonym
- Potassium titanate (K2TiO3) Synonym
- Titanium potassium oxide (K2TiO3) Synonym
- Dipotassium titanate (K2TiO3) Synonym
- Tofica YD 101 Synonym
- Tistat PHS Synonym
- TK Synonym
- TK (filler) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.96 g/mol | CAS Common Chemistry |
| 102.964 g/mol | RDKit | |
| 108.004 g/mol | chempirical lib | |
| Canonical SMILES | [O].[K].[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/K.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=XPXNOVWWKNYYGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium titanium oxide (K2TiO3) | 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 | 102.9065676 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 102.96 g/mol. Edit any field — others recompute live.
