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Calcium Titanate
CAS: 12049-50-2 | CaOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12049-50-2
Molecular Formula:
CaOTi
Molecular Mass:
103.94 g/mol
Names and Synonyms:
Calcium Titanate
Calcium titanium oxide (CaTiO3)
Titanate (TiO32-), calcium (1:1)
Titanium calcium oxide (TiCaO3)
Calcium titanate
Calcium titanate (CaTiO3)
Calcium titanium trioxide
Calcium titanium oxide (CaO3Ti)
CT
RC 17
Calcium titanium oxide
SCK
CT (oxide)
CT-GA
CT-WA
CT-D 50
CT 301
SC 110
CT 411
Identifiers:
SMILES:
[Ca].[O].[Ti]
InChI:
InChI=1S/Ca.O.Ti
Key Properties
Density
4.02 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 | 103.94 g/mol | CAS Common Chemistry |
| 103.944 g/mol | RDKit | |
| 103.9054519 g/mol | RDKit | |
| Density | 4.02 g/cm³ | CAS Common Chemistry |
| 4.02 g/cm3 @ Temp: Room temp | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_titanate | CAS Common Chemistry |
| Canonical SMILES | [O].[Ca].[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=IGQBDCFVMKSNOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium titanate | 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 | RDKit |
