Back to Search
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 Weight:
86.856 g/mol
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
Identifiers:
SMILES:
[Na].[O].[Ti]
InChI:
InChI=1S/Na.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 | 86.856 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.9326302 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 | 86.86 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_metatitanate None | Legacy Database |
| cas-canonical-smile | [O].[Na].[Ti] None | Legacy Database |
| cas-inchi | InChI=1S/Na.O.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=YQSUXPSCHVHMEZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Sodium titanate (Na2Ti3O7) None | Legacy Database |
| wikipedia-name | Sodium metatitanate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.440499999999999 | RDKit |