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Potassium Bisulfate
CAS: 7646-93-7 | H2KO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7646-93-7
Molecular Formula:
H2KO4S
Molecular Weight:
137.17699999999996 g/mol
Names and Synonyms:
Potassium Bisulfate
Sulfuric acid, potassium salt (1:1)
Sulfuric acid, monopotassium salt
Potassium acid sulfate
Potassium bisulfate
Potassium hydrogen sulfate
Sal enixum
Monopotassium sulfate
Acid potassium sulfate
Potassium sulfate (KHSO4)
Potassium bisulphate
Hydrogen potassium sulfate
Identifiers:
SMILES:
O=S(=O)(O)O.[K]
InChI:
InChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.17699999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.931086224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.0335999999999999 | RDKit |
| molecular_mass | 137.18 g/mol | Legacy Database |
| density | 2.24 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Potassium_bisulfate None | Legacy Database |
| cas-canonical-smile | [K].O=S(=O)(O)O None | Legacy Database |
| cas-density | 2.24 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/K.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=ILRLTAZWFOQHRT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 197 °C None | Legacy Database |
| cas-name | Potassium bisulfate None | Legacy Database |
| wikipedia-name | Potassium bisulfate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.9314 | RDKit |
