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Cobalt Titanium Oxide (Cotio3)
CAS: 12017-01-5 | CoOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12017-01-5
Molecular Formula:
CoOTi
Molecular Weight:
122.799 g/mol
Names and Synonyms:
Cobalt Titanium Oxide (Cotio3)
Cobalt titanium oxide (Co0.5Ti0.5O1.5)
Cobalt titanium oxide (Co4Ti4O12)
Cobalt titanium trioxide
Cobalt titanate (CoTiO3)
Cobalt titanate(IV) (CoTiO3)
Cobalt titanium oxide (CoTiO3)
Identifiers:
SMILES:
[Co].[O].[Ti]
InChI:
InChI=1S/Co.O.Ti
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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 |
|---|---|---|
| cas-inchi | InChI=1S/Co.O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=OBNZSXXBIMFVMX-UHFFFAOYSA-N None | Legacy Database |
| LogP | -0.12380000000000001 | RDKit |
| cas-canonical-smile | [O].[Ti].[Co] None | Legacy Database |
| molecular_mass | 122.80 g/mol | Legacy Database |
| cas-name | Cobalt titanium oxide (CoTiO3) None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.799 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.87605592 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 | 0.6865 | RDKit |
