Back to Search
Molecule
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
Identifiers
CAS Registry Number
10101-98-1
SMILES
O.O.O.O.O.O.O.O=S(=O)(O)O.[Ni]
InChI Key
XDJNNAWSRFZFOL-UHFFFAOYSA-N
InChI
InChI=1S/Ni.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2
Names and Synonyms
- Nickel Sulfate Heptahydrate Synonym
- Sulfuric acid, nickel(2+) salt, hydrate (1:1:7) Synonym
- Sulfuric acid, nickel(2+) salt (1:1), heptahydrate Synonym
- Nickel sulfate heptahydrate Synonym
- Nickelous sulfate heptahydrate Synonym
- Nickel(2+) sulfate heptahydrate Synonym
- Nickel(II) sulfate heptahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.88 g/mol | CAS Common Chemistry |
| 282.877 g/mol | RDKit | |
| 284.886 g/mol | chempirical lib | |
| 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 |
| -6.4282 | RDKit | |
| Molar Refractivity | 39.474000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 281.976675232 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 282.88 g/mol. Edit any field — others recompute live.
