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Aluminum Potassium Sulfate Dodecahydrate
CAS: 7784-24-9 | H14AlKO10S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7784-24-9
Molecular Formula:
H14AlKO10S
Molecular Mass:
272.25 g/mol
Names and Synonyms:
Aluminum Potassium Sulfate Dodecahydrate
Sulfuric acid, aluminum potassium salt (2:1:1), dodecahydrate
Potassium alum dodecahydrate
Potassium aluminum sulfate dodecahydrate
Aluminum potassium sulfate (AlK(SO4)2), dodecahydrate
Aluminum potassium disulfate dodecahydrate
Potassium aluminum disulfate dodecahydrate
Potassium aluminum sulfate dodecahydrate (KAl(SO4)2.12H2O)
Aluminum potassium sulfate dodecahydrate
Aluminium potassium sulfate dedecahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O=S(=O)(O)O.[Al].[K]
InChI:
InChI=1S/Al.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 | 272.25 g/mol | CAS Common Chemistry |
| 272.249 g/mol | RDKit | |
| 271.976012958 g/mol | RDKit | |
| Canonical SMILES | [Al].[K].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.K.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;;(H2,1,2,3,4);6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AUROSHMKZHJZLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum potassium sulfate 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 | -6.362599999999994 | RDKit |
| Molar Refractivity | 47.36820000000002 | RDKit |
