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Molecule
Caesium Carbonate
CAS: 534-17-8 · CH2Cs2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 534-17-8
- Molecular Formula
- CH2Cs2O3
- Molecular Mass
- 327.83 g/mol
Identifiers
CAS Registry Number
534-17-8
SMILES
O=C(O)O.[Cs].[Cs]
InChI Key
UJEVSBFGTVHBGT-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;
Names and Synonyms
- Caesium Carbonate Synonym
- Carbonic acid, cesium salt (1:2) Synonym
- Carbonic acid, dicesium salt Synonym
- Cesium carbonate (Cs2CO3) Synonym
- Dicesium carbonate Synonym
- Cesium carbonate Synonym
- Caesium carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 327.83 g/mol | CAS Common Chemistry |
| 327.834 g/mol | RDKit | |
| 329.85 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_carbonate | CAS Common Chemistry |
| Canonical SMILES | [Cs].O=C(O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);; | CAS Common Chemistry |
| InChI Key | InChIKey=UJEVSBFGTVHBGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 794 °C | CAS Common Chemistry |
| Name | Cesium carbonate | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -0.5391999999999999 | RDKit |
| -0.5392 | RDKit | |
| Molar Refractivity | 22.1616 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 327.811297724 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 327.83 g/mol. Edit any field — others recompute live.
