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Methanesulfonic Acid, Copper(2+) Salt (2:1)
CAS: 54253-62-2 | CH4CuO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54253-62-2
Molecular Formula:
CH4CuO3S
Molecular Mass:
159.65 g/mol
Names and Synonyms:
Methanesulfonic Acid, Copper(2+) Salt (2:1)
Methanesulfonic acid, copper(2+) salt (2:1)
Methanesulfonic acid, copper(2+) salt
Copper(2+) methanesulfonate
Cupric methanesulfonate
Copper(II) methanesulfonate
Identifiers:
SMILES:
CS(=O)(=O)O.[Cu]
InChI:
InChI=1S/CH4O3S.Cu/c1-5(2,3)4;/h1H3,(H,2,3,4);
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 | 159.65 g/mol | CAS Common Chemistry |
| 159.653 g/mol | RDKit | |
| 158.917712488 g/mol | RDKit | |
| Canonical SMILES | [Cu].O=S(=O)(O)C | CAS Common Chemistry |
| InChI | InChI=1S/CH4O3S.Cu/c1-5(2,3)4;/h1H3,(H,2,3,4); | CAS Common Chemistry |
| InChI Key | InChIKey=SDFNZYMSEOUVIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methanesulfonic acid, copper(2+) salt (2:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| LogP | -0.4984999999999998 | RDKit |
| Molar Refractivity | 17.472600000000003 | RDKit |
