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Sodium Zirconium Oxide Silicate (Na2Zro(Sio4))
CAS: 12027-83-7 | NaO5SiZr-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12027-83-7
Molecular Formula:
NaO5SiZr-4
Molecular Mass:
222.30 g/mol
Names and Synonyms:
Sodium Zirconium Oxide Silicate (Na2Zro(Sio4))
Sodium zirconium oxide silicate (Na2ZrO(SiO4))
Silicic acid (H6SiO5), sodium zirconium(4+) salt (1:2:1)
Zirconate(2-), [orthosilicato(4-)-O]oxo-, disodium
Sodium zirconium silicate (Na2ZrSiO5)
Silicic acid (H4SiO4), zirconium complex
Identifiers:
SMILES:
[Na].[O-][Si]([O-])([O-])[O-].[O].[Zr]
InChI:
InChI=1S/Na.O4Si.O.Zr/c;1-5(2,3)4;;/q;-4;;
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 | 222.30 g/mol | CAS Common Chemistry |
| 222.29499999999996 g/mol | RDKit | |
| 220.84816762964005 g/mol | RDKit | |
| Canonical SMILES | [O].[Na].[Zr].[O-][Si]([O-])([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/Na.O4Si.O.Zr/c;1-5(2,3)4;;/q;-4;; | CAS Common Chemistry |
| InChI Key | InChIKey=ZORHOZVGDPNZFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium zirconium oxide silicate (Na2ZrO(SiO4)) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 120.74 Ų | RDKit |
| LogP | -5.6389000000000005 | RDKit |
| Molar Refractivity | 12.1945 | RDKit |
