Back to Search
Molecule
Aluminum Sulfate Hexadecahydrate
CAS: 16828-11-8 · H12AlO9S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16828-11-8
- Molecular Formula
- H12AlO9S
- Molecular Mass
- 215.14 g/mol
Identifiers
CAS Registry Number
16828-11-8
SMILES
O.O.O.O.O.O=S(=O)(O)O.[Al]
InChI Key
IFVOQEJWSNTFNZ-UHFFFAOYSA-N
InChI
InChI=1S/Al.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2
Names and Synonyms
- Aluminum Sulfate Hexadecahydrate Common Name
- Sulfuric acid, aluminum salt (3:2), hexadecahydrate Synonym
- Aluminum sulfate hexadecahydrate Synonym
- Aluminum sesquisulfate hexadecahydrate Synonym
- Aluminum sulfate (Al2(SO4)3) hydrate (1:16) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.14 g/mol | CAS Common Chemistry |
| 215.136 g/mol | RDKit | |
| 218.153 g/mol | chempirical lib | |
| Canonical SMILES | [Al].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IFVOQEJWSNTFNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum sulfate hexadecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 232.09999999999997 Ų | RDKit |
| 232.1 Ų | RDKit | |
| LogP | -5.157099999999997 | RDKit |
| -5.1571 | RDKit | |
| Molar Refractivity | 38.0004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 215.00174159399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 215.14 g/mol. Edit any field — others recompute live.
