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Molecule
Caesium Acetate
CAS: 3396-11-0 · C2H4CsO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3396-11-0
- Molecular Formula
- C2H4CsO2
- Molecular Mass
- 192.96 g/mol
Identifiers
CAS Registry Number
3396-11-0
SMILES
CC(=O)O.[Cs]
InChI Key
ISOFMMPYICGGSC-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);
Names and Synonyms
- Caesium Acetate Synonym
- Acetic acid, cesium salt (1:1) Synonym
- Acetic acid, cesium salt Synonym
- Cesium acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.96 g/mol | CAS Common Chemistry |
| 192.957 g/mol | RDKit | |
| 193.965 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Caesium_acetate | CAS Common Chemistry |
| Canonical SMILES | [Cs].O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=ISOFMMPYICGGSC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190-195 °C | CAS Common Chemistry |
| Name | Cesium acetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.2899000000000001 | RDKit |
| -0.2899 | RDKit | |
| Molar Refractivity | 19.063799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 192.926581268 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 192.96 g/mol. Edit any field — others recompute live.
