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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 Weight:
102.964 g/mol
Names and Synonyms:
Potassium Titanium Oxide (K2Tio3)
TK (filler)
TK
Tistat PHS
Tofica YD 101
Dipotassium titanate (K2TiO3)
Titanium potassium oxide (K2TiO3)
Potassium titanate (K2TiO3)
Titanate (TiO32-), dipotassium
Potassium titanium oxide (K2TiO3)
Identifiers:
SMILES:
[K].[O].[Ti]
InChI:
InChI=1S/K.O.Ti
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 102.96 g/mol | Legacy Database |
| cas-canonical-smile | [O].[K].[Ti] None | Legacy Database |
| cas-inchi | InChI=1S/K.O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=XPXNOVWWKNYYGB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Potassium titanium oxide (K2TiO3) None | Legacy Database |
| LogP | -0.5021 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 102.964 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.9065676 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 28.5 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.440499999999999 | RDKit |
