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Molecule
Formic Acid, Cadmium Salt
CAS: 4464-23-7 · CH2CdO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4464-23-7
- Molecular Formula
- CH2CdO2
- Molecular Mass
- 158.44 g/mol
Identifiers
CAS Registry Number
4464-23-7
SMILES
O=CO.[Cd]
InChI Key
XIQOAFTWVKWYOG-UHFFFAOYSA-N
InChI
InChI=1S/CH2O2.Cd/c2-1-3;/h1H,(H,2,3);
Names and Synonyms
- Formic Acid, Cadmium Salt Systematic Name
- Formic acid, cadmium salt Synonym
- Cadmium formate Synonym
- Cadmium diformate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.44 g/mol | CAS Common Chemistry |
| 159.908837804 g/mol | RDKit | |
| 158.437 g/mol | RDKit | |
| 160.455 g/mol | chempirical lib | |
| Canonical SMILES | [Cd].O=CO | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.Cd/c2-1-3;/h1H,(H,2,3); | CAS Common Chemistry |
| InChI Key | InChIKey=XIQOAFTWVKWYOG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Formic acid, cadmium salt | 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 | -0.3016999999999999 | RDKit |
| -0.3017 | RDKit | |
| Molar Refractivity | 8.6928 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 158.437 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 |
|---|
200 ppm
180
160
140
120
100
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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 = 158.44 g/mol. Edit any field — others recompute live.
