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Molecule
Sodium Metatitanate
CAS: 12034-36-5 · NaOTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12034-36-5
- Molecular Formula
- NaOTi
- Molecular Mass
- 86.86 g/mol
Identifiers
CAS Registry Number
12034-36-5
SMILES
[Na].[O].[Ti]
InChI Key
YQSUXPSCHVHMEZ-UHFFFAOYSA-N
InChI
InChI=1S/Na.O.Ti
Names and Synonyms
- Sodium Metatitanate Synonym
- Sodium titanate (Na2Ti3O7) Synonym
- Sodium titanium oxide (Na4Ti6O14) Synonym
- Sodium trititanate Synonym
- Sodium titanium oxide (Na2Ti3O7) Synonym
- Titanate (Ti3O72-), disodium Synonym
- Sodium titanate(IV) (Na2Ti3O7) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.86 g/mol | CAS Common Chemistry |
| 86.9326302 g/mol | RDKit | |
| 86.856 g/mol | RDKit | |
| 91.896 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_metatitanate | CAS Common Chemistry |
| Canonical SMILES | [O].[Na].[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/Na.O.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=YQSUXPSCHVHMEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium titanate (Na2Ti3O7) | CAS Common Chemistry |
| Sodium metatitanate | 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 | 86.856 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 86.86 g/mol. Edit any field — others recompute live.
