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Molecule
Sodium Zirconium Oxide Silicate (Na2Zro(Sio4))
CAS: 12027-83-7 · NaO5SiZr-4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12027-83-7
- Molecular Formula
- NaO5SiZr-4
- Molecular Mass
- 222.30 g/mol
Identifiers
CAS Registry Number
12027-83-7
SMILES
[Na].[O-][Si]([O-])([O-])[O-].[O].[Zr]
InChI Key
ZORHOZVGDPNZFE-UHFFFAOYSA-N
InChI
InChI=1S/Na.O4Si.O.Zr/c;1-5(2,3)4;;/q;-4;;
Names and Synonyms
- Sodium Zirconium Oxide Silicate (Na2Zro(Sio4)) Common Name
- Sodium zirconium oxide silicate (Na2ZrO(SiO4)) Synonym
- Silicic acid (H6SiO5), sodium zirconium(4+) salt (1:2:1) Synonym
- Zirconate(2-), [orthosilicato(4-)-O]oxo-, disodium Synonym
- Sodium zirconium silicate (Na2ZrSiO5) Synonym
- Silicic acid (H4SiO4), zirconium complex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.30 g/mol | CAS Common Chemistry |
| 222.29499999999996 g/mol | RDKit | |
| 222.295 g/mol | RDKit | |
| 229.351 g/mol | chempirical lib | |
| 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 |
| -5.6389 | RDKit | |
| Molar Refractivity | 12.1945 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -4 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 220.84816762964005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
100
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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 = 222.30 g/mol. Edit any field — others recompute live.
