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Molecule
Magnesium Titanate (Mgtio3)
CAS: 12032-30-3 · MgOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12032-30-3
- Molecular Formula
- MgOTi
- Molecular Mass
- 88.17 g/mol
Identifiers
CAS Registry Number
12032-30-3
SMILES
[Mg].[O].[Ti]
InChI Key
ZHNSTNMPJBVRLA-UHFFFAOYSA-N
InChI
InChI=1S/Mg.O.Ti
Names and Synonyms
- Magnesium Titanate (Mgtio3) Synonym
- Magnesium titanium oxide (MgTiO3) Synonym
- Magnesium titanate(IV) (MgTiO3) Synonym
- Titanate (TiO32-), magnesium (1:1) Synonym
- Titanium magnesium oxide (TiMgO3) Synonym
- Magnesium titanate Synonym
- Magnesium titanium trioxide Synonym
- Magnesium titanate (MgTiO3) Synonym
- ATD 16 Synonym
- Ticon 75 Synonym
- Magnesium metatitanate Synonym
- MT 1S Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.17 g/mol | CAS Common Chemistry |
| 88.17099999999999 g/mol | RDKit | |
| 88.171 g/mol | RDKit | |
| 94.219 g/mol | chempirical lib | |
| Canonical SMILES | [O].[Mg].[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/Mg.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=ZHNSTNMPJBVRLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium titanate (MgTiO3) | 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 | -0.5021 | RDKit |
| Molar Refractivity | 6.440499999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 87.92790262 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
External Resources
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MW = 88.17 g/mol. Edit any field — others recompute live.
