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Molecule
Cobalt Titanium Oxide (Co2Tio4)
CAS: 12017-38-8 · CoOTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12017-38-8
- Molecular Formula
- CoOTi
- Molecular Mass
- 122.80 g/mol
Identifiers
CAS Registry Number
12017-38-8
SMILES
[Co].[O].[Ti]
InChI Key
OBNZSXXBIMFVMX-UHFFFAOYSA-N
InChI
InChI=1S/Co.O.Ti
Names and Synonyms
- Cobalt Titanium Oxide (Co2Tio4) Common Name
- Cobalt titanium oxide (Co2TiO4) Synonym
- Cobalt titanate(IV) (Co2TiO4) Synonym
- Cobalt titanate (Co2TiO4) Synonym
- Dicobalt titanium tetraoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.80 g/mol | CAS Common Chemistry |
| 122.87605592 g/mol | RDKit | |
| 122.799 g/mol | RDKit | |
| 128.847 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Ti].[Co] | CAS Common Chemistry |
| InChI | InChI=1S/Co.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=OBNZSXXBIMFVMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cobalt titanium oxide (Co2TiO4) | 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 | -0.12380000000000001 | RDKit |
| -0.1238 | RDKit | |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 122.799 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 122.80 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CoOTi.
