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Copper Sulfate Pentahydrate
CAS: 7758-99-8 | H12CuO9S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7758-99-8
Molecular Formula:
H12CuO9S
Molecular Mass:
251.70 g/mol
Names and Synonyms:
Copper Sulfate Pentahydrate
Sulfuric acid copper(2+) salt (1:1), hydrate (1:5)
Sulfuric acid copper(2+) salt (1:1), pentahydrate
Copper sulfate pentahydrate
Cupric sulfate pentahydrate
Copper(II) sulfate pentahydrate
Copper(2+) sulfate pentahydrate
Copper sulfate (CuSO4) pentahydrate
Top Lucina HV-WA
Identifiers:
SMILES:
O.O.O.O.O.O=S(=O)(O)O.[Cu]
InChI:
InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2
Key Properties
Melting Point
110 °C (decomp)
CAS Common Chemistry
Density
2.29 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 | 251.70 g/mol | CAS Common Chemistry |
| 251.7 g/mol | RDKit | |
| 250.949800464 g/mol | RDKit | |
| Density | 2.29 g/cm³ | CAS Common Chemistry |
| 2.286 g/cm3 @ Temp: 15.6 °C | CAS Common Chemistry | |
| Canonical SMILES | [Cu].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CMDXKWPDBAJJNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C (decomp) | CAS Common Chemistry |
| Name | Copper sulfate pentahydrate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 232.09999999999997 Ų | RDKit |
| LogP | -4.778799999999998 | RDKit |
| Molar Refractivity | 32.2464 | RDKit |
