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Molecule
Aluminum Sulfate Hydrate
CAS: 17927-65-0 · H4AlO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17927-65-0
- Molecular Formula
- H4AlO5S
- Molecular Mass
- 143.08 g/mol
Identifiers
CAS Registry Number
17927-65-0
SMILES
O.O=S(=O)(O)O.[Al]
InChI Key
JGYNWXAUFGUZGC-UHFFFAOYSA-N
InChI
InChI=1S/Al.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
Names and Synonyms
- Aluminum Sulfate Hydrate Synonym
- Sulfuric acid, aluminum salt (3:2), hydrate Synonym
- Aluminum sulfate hydrate Synonym
- Dialuminum trisulfate hydrate Synonym
- Aluminum trisulfate hydrate Synonym
- Aluminum sulfate (2:3) hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.08 g/mol | CAS Common Chemistry |
| 143.07599999999996 g/mol | RDKit | |
| 143.076 g/mol | RDKit | |
| 146.093 g/mol | chempirical lib | |
| Canonical SMILES | [Al].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JGYNWXAUFGUZGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum sulfate hydrate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
| 106.1 Ų | RDKit | |
| 115.83 Ų | chempirical lib | |
| LogP | -1.8582999999999998 | RDKit |
| -1.8583 | RDKit | |
| Molar Refractivity | 23.5452 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 142.959482858 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 143.08 g/mol. Edit any field — others recompute live.
