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Molecule
Cadmium Carbonate (Cdco3)
CAS: 513-78-0 · CH2CdO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 513-78-0
- Molecular Formula
- CH2CdO3
- Molecular Mass
- 174.44 g/mol
Identifiers
CAS Registry Number
513-78-0
SMILES
O=C(O)O.[Cd]
InChI Key
KOHRTFCSIQIYAE-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.Cd/c2-1(3)4;/h(H2,2,3,4);
Names and Synonyms
- Cadmium Carbonate (Cdco3) Common Name
- Carbonic acid, cadmium salt (1:1) Synonym
- Cadmium carbonate Synonym
- Carbonic acid, cadmium salt Synonym
- Chemcarb (CdCO3) Synonym
- Cadmium carbonate (CdCO3) Synonym
- Cadmium monocarbonate Synonym
- Supermikrokalcit Synonym
- Mikrokalcit Synonym
- Kalcit Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Cadmium_carbonate | CAS Common Chemistry |
| Molecular Mass | 174.44 g/mol | CAS Common Chemistry |
| 175.903752424 g/mol | RDKit | |
| 174.436 g/mol | RDKit | |
| 176.454 g/mol | chempirical lib | |
| 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 |
| 0.2199 | RDKit | |
| Molar Refractivity | 10.6536 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 174.436 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 174.44 g/mol; density = 4.260 g/mL. Edit any field — others recompute live.
