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Titanium(Ii) Oxide
CAS: 12137-20-1 | OTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12137-20-1
Molecular Formula:
OTi
Molecular Weight:
63.866 g/mol
Names and Synonyms:
Titanium(Ii) Oxide
Synonym
Titanium oxide (TiO)
Synonym
Titanium monoxide
Synonym
Titanium Black 12S
Synonym
Titan Black 12S
Synonym
12S
Synonym
Identifiers:
SMILES:
[O].[Ti]
InChI:
InChI=1S/O.Ti
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 63.866 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 63.94286092 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.1213 | RDKit |
| molecular_mass | 63.87 g/mol | Legacy Database |
| density | 4.93 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium(II)_oxide None | Legacy Database |
| cas-canonical-smile | O=[Ti] None | Legacy Database |
| cas-density | 4.93 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=OGIDPMRJRNCKJF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1750 °C None | Legacy Database |
| cas-name | Titanium monoxide None | Legacy Database |
| wikipedia-name | Titanium(II) oxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.6865 | RDKit |