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Molecule
Chromium Potassium Disulfate Dodecahydrate
CAS: 7788-99-0 · H14CrKO10S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7788-99-0
- Molecular Formula
- H14CrKO10S
- Molecular Mass
- 297.26 g/mol
Identifiers
CAS Registry Number
7788-99-0
SMILES
O.O.O.O.O.O.O=S(=O)(O)O.[Cr].[K]
InChI Key
ZCXUHTBLBKKRFS-UHFFFAOYSA-N
InChI
InChI=1S/Cr.K.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);6*1H2
Names and Synonyms
- Chromium Potassium Disulfate Dodecahydrate Common Name
- Sulfuric acid, chromium(3+) potassium salt (2:1:1), dodecahydrate Synonym
- Chromium potassium sulfate (CrK(SO4)2), dodecahydrate Synonym
- Monopotassium monochromium disulfate dodecahydrate Synonym
- Chromium potassium disulfate dodecahydrate Synonym
- Potassium chromium disulfate dodecahydrate Synonym
- Chromium potassium sulfate (KCr(SO4)2) dodecahydrate Synonym
- Chromium potassium alum (KCr(SO4)2.12H2O) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.26 g/mol | CAS Common Chemistry |
| 297.26300000000003 g/mol | RDKit | |
| 297.263 g/mol | RDKit | |
| 300.28 g/mol | chempirical lib | |
| 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 |
| 263.6 Ų | RDKit | |
| LogP | -5.984299999999996 | RDKit |
| -5.9843 | RDKit | |
| Molar Refractivity | 41.61420000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 296.93498182800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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
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MW = 297.26 g/mol. Edit any field — others recompute live.
