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Chromium Potassium Disulfate Dodecahydrate
CAS: 7788-99-0 | H14CrKO10S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7788-99-0
Molecular Formula:
H14CrKO10S
Molecular Mass:
297.26 g/mol
Names and Synonyms:
Chromium Potassium Disulfate Dodecahydrate
Sulfuric acid, chromium(3+) potassium salt (2:1:1), dodecahydrate
Chromium potassium sulfate (CrK(SO4)2), dodecahydrate
Monopotassium monochromium disulfate dodecahydrate
Chromium potassium disulfate dodecahydrate
Potassium chromium disulfate dodecahydrate
Chromium potassium sulfate (KCr(SO4)2) dodecahydrate
Chromium potassium alum (KCr(SO4)2.12H2O)
Identifiers:
SMILES:
O.O.O.O.O.O.O=S(=O)(O)O.[Cr].[K]
InChI:
InChI=1S/Cr.K.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);6*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 | 297.26 g/mol | CAS Common Chemistry |
| 297.26300000000003 g/mol | RDKit | |
| 296.93498182800005 g/mol | RDKit | |
| Canonical SMILES | [K].[Cr].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Cr.K.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZCXUHTBLBKKRFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium potassium disulfate dodecahydrate | 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 | 263.59999999999997 Ų | RDKit |
| LogP | -5.984299999999996 | RDKit |
| Molar Refractivity | 41.61420000000001 | RDKit |
