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Nickel Sulfate Heptahydrate
CAS: 10101-98-1 | H16NiO11S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10101-98-1
Molecular Formula:
H16NiO11S
Molecular Mass:
282.88 g/mol
Names and Synonyms:
Nickel Sulfate Heptahydrate
Sulfuric acid, nickel(2+) salt, hydrate (1:1:7)
Sulfuric acid, nickel(2+) salt (1:1), heptahydrate
Nickel sulfate heptahydrate
Nickelous sulfate heptahydrate
Nickel(2+) sulfate heptahydrate
Nickel(II) sulfate heptahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O=S(=O)(O)O.[Ni]
InChI:
InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2
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 | 282.88 g/mol | CAS Common Chemistry |
| 282.877 g/mol | RDKit | |
| 281.976675232 g/mol | RDKit | |
| Canonical SMILES | [Ni].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XDJNNAWSRFZFOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nickel sulfate heptahydrate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 295.1 Ų | RDKit |
| LogP | -6.428199999999995 | RDKit |
| Molar Refractivity | 39.474000000000004 | RDKit |
