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Molecule
Nickel Sulfate Hydrate
CAS: 15244-37-8 · H4NiO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15244-37-8
- Molecular Formula
- H4NiO5S
- Molecular Mass
- 174.79 g/mol
Identifiers
CAS Registry Number
15244-37-8
SMILES
O.O=S(=O)(O)O.[Ni]
InChI Key
GRPFKFKIOCEWLV-UHFFFAOYSA-N
InChI
InChI=1S/Ni.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
Names and Synonyms
- Nickel Sulfate Hydrate Synonym
- Sulfuric acid, nickel(2+) salt (1:1), hydrate Synonym
- Nickel sulfate hydrate Synonym
- Nickel(2+) sulfate hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.79 g/mol | CAS Common Chemistry |
| 174.78699999999998 g/mol | RDKit | |
| 174.787 g/mol | RDKit | |
| 176.796 g/mol | chempirical lib | |
| Canonical SMILES | [Ni].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Ni.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GRPFKFKIOCEWLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nickel sulfate hydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
| 106.1 Ų | RDKit | |
| 115.83 Ų | chempirical lib | |
| LogP | -1.48 | RDKit |
| Molar Refractivity | 17.7912 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 173.913287128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 174.79 g/mol. Edit any field — others recompute live.
