Back to Search
Molecule
Cesium Formate
CAS: 3495-36-1 · CH2CsO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3495-36-1
- Molecular Formula
- CH2CsO2
- Molecular Mass
- 178.93 g/mol
Identifiers
CAS Registry Number
3495-36-1
SMILES
O=CO.[Cs]
InChI Key
WLHQEXWBUBNKIO-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Cs/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Cesium Formate Synonym
- Formic acid, cesium salt (1:1) Synonym
- Formic acid, cesium salt Synonym
- Cesium formate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.93 g/mol | CAS Common Chemistry |
| 179.938 g/mol | chempirical lib | |
| Canonical SMILES | [Cs].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Cs/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=WLHQEXWBUBNKIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cesium formate | CAS Common Chemistry |
| Heavy Atom Count | 4 | 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 | -0.6799999999999999 | RDKit |
| -0.68 | RDKit | |
| Molar Refractivity | 14.4468 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 178.910931204 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
Convert
Quick conversion
MW = 178.93 g/mol. Edit any field — others recompute live.
