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Carbonic Acid, Zirconium(4+) Salt
CAS: 36577-48-7 | CH2O3Zr
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36577-48-7
Molecular Formula:
CH2O3Zr
Molecular Weight:
153.24800000000002 g/mol
Names and Synonyms:
Carbonic Acid, Zirconium(4+) Salt
Zirconium carbonate
Carbonic acid, zirconium(4+) salt
Identifiers:
SMILES:
O=C(O)O.[Zr]
InChI:
InChI=1S/CH2O3.Zr/c2-1(3)4;/h(H2,2,3,4);
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.25 g/mol | Legacy Database |
| cas-canonical-smile | [Zr].O=C(O)O | Legacy Database | |
| cas-inchi | InChI=1S/CH2O3.Zr/c2-1(3)4;/h(H2,2,3,4); | Legacy Database | |
| cas-inchi-key | InChIKey=IUFBBBDTDAHZOQ-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Carbonic acid, zirconium(4+) salt | Legacy Database | |
| LogP | 0.21989999999999998 | RDKit | |
| Molecular | Molecular Weight | 153.24800000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.905098324 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 57.53 Ų | RDKit |
| Molar | Molar Refractivity | 10.6536 | RDKit |
