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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 Mass:
63.87 g/mol
Names and Synonyms:
Titanium(Ii) Oxide
Titanium oxide (TiO)
Titanium monoxide
Titanium Black 12S
Titan Black 12S
12S
Identifiers:
SMILES:
[O].[Ti]
InChI:
InChI=1S/O.Ti
Key Properties
Melting Point
1750 °C
CAS Common Chemistry
Density
4.93 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 63.87 g/mol | CAS Common Chemistry |
| 63.866 g/mol | RDKit | |
| 63.94286092 g/mol | RDKit | |
| 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 |
| Titanium(II) oxide | 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 | RDKit |
