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Molecule
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 Mass
- 63.87 g/mol
Identifiers
CAS Registry Number
12137-20-1
SMILES
[O].[Ti]
InChI Key
OGIDPMRJRNCKJF-UHFFFAOYSA-N
InChI
InChI=1S/O.Ti
Names and Synonyms
- Titanium(Ii) Oxide Synonym
- Titanium oxide (TiO) Synonym
- Titanium monoxide Synonym
- Titanium Black 12S Synonym
- Titan Black 12S Synonym
- 12S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 63.87 g/mol | CAS Common Chemistry |
| 63.94286092 g/mol | RDKit | |
| 63.866 g/mol | RDKit | |
| 67.898 g/mol | chempirical lib | |
| Density | 4.93 g/cm³ | CAS Common Chemistry |
| 4.93 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium(II)_oxide | CAS Common Chemistry |
| Canonical SMILES | O=[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=OGIDPMRJRNCKJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1750 °C | CAS Common Chemistry |
| Name | Titanium monoxide | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | -0.1213 | RDKit |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 63.866 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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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Quick conversion
MW = 63.87 g/mol; density = 4.930 g/mL. Edit any field — others recompute live.
