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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 Weight:
88.17099999999999 g/mol
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
Identifiers:
SMILES:
[Mg].[O].[Ti]
InChI:
InChI=1S/Mg.O.Ti
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 88.17099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.92790262 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | -0.5021 | RDKit |
| molecular_mass | 88.17 g/mol | Legacy Database |
| cas-canonical-smile | [O].[Mg].[Ti] None | Legacy Database |
| cas-inchi | InChI=1S/Mg.O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=ZHNSTNMPJBVRLA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Magnesium titanate (MgTiO3) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.440499999999999 | RDKit |