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Molecule
Ammonium Zirconium Carbonate
CAS: 22829-17-0 · CH5NO3Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22829-17-0
- Molecular Formula
- CH5NO3Zr
- Molecular Mass
- 170.28 g/mol
Identifiers
CAS Registry Number
22829-17-0
SMILES
N.O=C(O)O.[Zr]
InChI Key
OKXULOXSGGGFND-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.H3N.Zr/c2-1(3)4;;/h(H2,2,3,4);1H3;
Names and Synonyms
- Ammonium Zirconium Carbonate Common Name
- Carbonic acid, ammonium zirconium salt Synonym
- Ammonium zirconium carbonate Synonym
- Zirconium ammonium carbonate Synonym
- Deoxylyte DY-B Synonym
- AZCote 5800m Synonym
- HTI 5800M Synonym
- Vamcoat 20 Synonym
- Bacote 40 Synonym
- Cartabond ZA Liquid Synonym
- Az Coat 5800MT Synonym
- MelCross A Synonym
- Zirlink Synonym
- AC 20 Synonym
- AZ-SP 68B Synonym
- AC 20 (carbonate) Synonym
- Bacote 6200 Synonym
- B Coat 20 Synonym
- Berset 2720 Synonym
- C 7 Synonym
- AZC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.28 g/mol | CAS Common Chemistry |
| 170.279 g/mol | RDKit | |
| 174.311 g/mol | chempirical lib | |
| Canonical SMILES | [Zr].O=C(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.H3N.Zr/c2-1(3)4;;/h(H2,2,3,4);1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=OKXULOXSGGGFND-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium zirconium carbonate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 92.53 Ų | RDKit |
| LogP | 0.38190000000000013 | RDKit |
| 0.3819 | RDKit | |
| Molar Refractivity | 15.675699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 168.93164742000002 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 170.28 g/mol. Edit any field — others recompute live.
