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Copper Diacetate Monohydrate
CAS: 6046-93-1 | C2H6CuO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6046-93-1
Molecular Formula:
C2H6CuO3
Molecular Mass:
141.61 g/mol
Names and Synonyms:
Copper Diacetate Monohydrate
Acetic acid, copper(2+) salt, hydrate (2:1:1)
Acetic acid, copper(2+) salt, monohydrate
Copper diacetate monohydrate
Cupric acetate monohydrate
Copper(II) acetate monohydrate
Copper(2+) acetate monohydrate
Copper(2+) diacetate monohydrate
Identifiers:
SMILES:
CC(=O)O.O.[Cu]
InChI:
InChI=1S/C2H4O2.Cu.H2O/c1-2(3)4;;/h1H3,(H,3,4);;1H2
Key Properties
Boiling Point
115 °C
CAS Common Chemistry
Density
1.88 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.61 g/mol | CAS Common Chemistry |
| 141.613 g/mol | RDKit | |
| 140.961291552 g/mol | RDKit | |
| Density | 1.88 g/cm³ | CAS Common Chemistry |
| 1.882 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 115 °C | CAS Common Chemistry |
| Canonical SMILES | [Cu].O=C(O)C.O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.Cu.H2O/c1-2(3)4;;/h1H3,(H,3,4);;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QFWBEIWGYSUWSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper diacetate monohydrate | 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 | RDKit |
