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Cadmium Carbonate (Cdco3)
CAS: 513-78-0 | CH2CdO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
513-78-0
Molecular Formula:
CH2CdO3
Molecular Mass:
174.44 g/mol
Names and Synonyms:
Cadmium Carbonate (Cdco3)
Carbonic acid, cadmium salt (1:1)
Cadmium carbonate
Carbonic acid, cadmium salt
Chemcarb (CdCO3)
Cadmium carbonate (CdCO3)
Cadmium monocarbonate
Supermikrokalcit
Mikrokalcit
Kalcit
Identifiers:
SMILES:
O=C(O)O.[Cd]
InChI:
InChI=1S/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4);
Key Properties
Melting Point
375 °C (decomp)
CAS Common Chemistry
Density
4.26 g/cm³
CAS Common Chemistry
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 | 174.44 g/mol | CAS Common Chemistry |
| 174.436 g/mol | RDKit | |
| 175.903752424 g/mol | RDKit | |
| Density | 4.26 g/cm³ | CAS Common Chemistry |
| 4.26 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Cd].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=KOHRTFCSIQIYAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 375 °C (decomp) | CAS Common Chemistry |
| Name | Cadmium carbonate (CdCO3) | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 0.21989999999999998 | RDKit |
| Molar Refractivity | 10.6536 | RDKit |
