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Aluminum Sulfate Octadecahydrate
CAS: 7784-31-8 | H14AlO10S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7784-31-8
Molecular Formula:
H14AlO10S
Molecular Mass:
233.15 g/mol
Names and Synonyms:
Aluminum Sulfate Octadecahydrate
Sulfuric acid, aluminum salt (3:2), octadecahydrate
Cake alum
Patent alum
Aluminum sulfate octadecahydrate
Dialuminum sulfate octadecahydrate
Aluminum trisulfate octadecahydrate
Dialuminum trisulfate octadecahydrate
Aluminum sulfate (Al2(SO4)3) octadecahydrate
Aluminum sulfate octadecahydrate (Al2(SO4)3.18H2O)
Aluminum sesquisulfate octadecahydrate
Aluminum sulfate (Al2(SO4)3) hydrate (1:18)
Identifiers:
SMILES:
O.O.O.O.O.O.O=S(=O)(O)O.[Al]
InChI:
InChI=1S/Al.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 | 233.15 g/mol | CAS Common Chemistry |
| 233.151 g/mol | RDKit | |
| 233.012306278 g/mol | RDKit | |
| Canonical SMILES | [Al].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HWVOINJDHDECJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum sulfate octadecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | -5.981799999999995 | RDKit |
| Molar Refractivity | 41.61420000000001 | RDKit |
