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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
Names and Synonyms:
Ammonium Zirconium Carbonate
Carbonic acid, ammonium zirconium salt
Ammonium zirconium carbonate
Zirconium ammonium carbonate
Deoxylyte DY-B
AZCote 5800m
HTI 5800M
Vamcoat 20
Bacote 40
Cartabond ZA Liquid
Az Coat 5800MT
MelCross A
Zirlink
AC 20
AZ-SP 68B
AC 20 (carbonate)
Bacote 6200
B Coat 20
Berset 2720
C 7
AZC
Identifiers:
SMILES:
N.O=C(O)O.[Zr]
InChI:
InChI=1S/CH2O3.H3N.Zr/c2-1(3)4;;/h(H2,2,3,4);1H3;
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 | 170.28 g/mol | CAS Common Chemistry |
| 170.279 g/mol | RDKit | |
| 168.93164742000002 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 15.675699999999999 | RDKit |
