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Molecule
Cadmium Acetate Dihydrate
CAS: 5743-04-4 · C2H6CdO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5743-04-4
- Molecular Formula
- C2H6CdO3
- Molecular Mass
- 190.48 g/mol
Identifiers
CAS Registry Number
5743-04-4
SMILES
CC(=O)O.O.[Cd]
InChI Key
DJEVLLXYYDXCCO-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Cd.H2O/c1-2(3)4;;/h1H3,(H,3,4);;1H2
Names and Synonyms
- Cadmium Acetate Dihydrate Common Name
- Acetic acid, cadmium salt, dihydrate Synonym
- Cadmium acetate dihydrate Synonym
- Cadmium diacetate dihydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.48 g/mol | CAS Common Chemistry |
| 191.935052552 g/mol | RDKit | |
| 190.479 g/mol | RDKit | |
| 192.497 g/mol | chempirical lib | |
| Density | 2.01 g/cm³ | CAS Common Chemistry |
| 2.010 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Cd].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Cd.H2O/c1-2(3)4;;/h1H3,(H,3,4);;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DJEVLLXYYDXCCO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 254-256 °C | CAS Common Chemistry |
| Name | Cadmium acetate dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.8 Ų | RDKit |
| LogP | -0.7363 | RDKit |
| Molar Refractivity | 16.9236 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 190.479 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 190.48 g/mol; density = 2.010 g/mL. Edit any field — others recompute live.
