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Molecule
Bismuth Titanium Oxide (Bi2Ti2O7)
CAS: 12048-51-0 · BiOTi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12048-51-0
- Molecular Formula
- BiOTi
- Molecular Mass
- 272.85 g/mol
Identifiers
CAS Registry Number
12048-51-0
SMILES
[Bi].[O].[Ti]
InChI Key
HJOAZTDLLYSNQU-UHFFFAOYSA-N
InChI
InChI=1S/Bi.O.Ti
Names and Synonyms
- Bismuth Titanium Oxide (Bi2Ti2O7) Synonym
- Bismuth titanium oxide (Bi2Ti2O7) Synonym
- Bismuth titanate(IV) (Bi2Ti2O7) Synonym
- Bismuth titanate (Bi2Ti2O7) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.85 g/mol | CAS Common Chemistry |
| 272.92325962 g/mol | RDKit | |
| 272.846 g/mol | RDKit | |
| 279.902 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 272.846 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 272.85 g/mol. Edit any field — others recompute live.
