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Magnesium Sulfate Heptahydrate
CAS: 10034-99-8 | H16MgO11S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10034-99-8
Molecular Formula:
H16MgO11S
Molecular Mass:
248.49 g/mol
Names and Synonyms:
Magnesium Sulfate Heptahydrate
Sulfuric acid, magnesium salt, hydrate (1:1:7)
Sulfuric acid magnesium salt (1:1), heptahydrate
Magnesium sulfate heptahydrate
Magnesium sulfate heptahydrate (MgSO4.7H2O)
Magnesium sulfate (MgSO4) heptahydrate
Magnesium sulfate hydrate (MgSO4.7H2O)
Identifiers:
SMILES:
O.O.O.O.O.O.O.O=S(=O)(O)O.[Mg]
InChI:
InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2
Key Properties
Density
1.67 g/cm³
CAS Common Chemistry
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 | 248.49 g/mol | CAS Common Chemistry |
| 248.48900000000003 g/mol | RDKit | |
| 248.026374032 g/mol | RDKit | |
| Density | 1.67 g/cm³ | CAS Common Chemistry |
| 1.67 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Mg].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QBRPIXOGXMPIMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium sulfate heptahydrate | 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 | 295.1 Ų | RDKit |
| LogP | -6.806499999999994 | RDKit |
| Molar Refractivity | 45.228000000000016 | RDKit |
