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Bismuth Titanium Oxide (Bi2Ti2O7)
CAS: 12048-51-0 | BiOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12048-51-0
Molecular Formula:
BiOTi
Molecular Mass:
272.85 g/mol
Names and Synonyms:
Bismuth Titanium Oxide (Bi2Ti2O7)
Bismuth titanium oxide (Bi2Ti2O7)
Bismuth titanate(IV) (Bi2Ti2O7)
Bismuth titanate (Bi2Ti2O7)
Identifiers:
SMILES:
[Bi].[O].[Ti]
InChI:
InChI=1S/Bi.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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.85 g/mol | CAS Common Chemistry |
| 272.846 g/mol | RDKit | |
| 272.92325962 g/mol | RDKit | |
| Canonical SMILES | [O].[Ti].[Bi] | CAS Common Chemistry |
| InChI | InChI=1S/Bi.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=HJOAZTDLLYSNQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bismuth titanium oxide (Bi2Ti2O7) | 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 |
