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Molecule
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
Identifiers
CAS Registry Number
10034-99-8
SMILES
O.O.O.O.O.O.O.O=S(=O)(O)O.[Mg]
InChI Key
QBRPIXOGXMPIMA-UHFFFAOYSA-N
InChI
InChI=1S/Mg.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2
Names and Synonyms
- Magnesium Sulfate Heptahydrate Common Name
- Sulfuric acid, magnesium salt, hydrate (1:1:7) Synonym
- Sulfuric acid magnesium salt (1:1), heptahydrate Synonym
- Magnesium sulfate heptahydrate Synonym
- Magnesium sulfate heptahydrate (MgSO4.7H2O) Synonym
- Magnesium sulfate (MgSO4) heptahydrate Synonym
- Magnesium sulfate hydrate (MgSO4.7H2O) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.49 g/mol | CAS Common Chemistry |
| 248.48900000000003 g/mol | RDKit | |
| 248.489 g/mol | RDKit | |
| 250.498 g/mol | chempirical lib | |
| 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 |
| -6.8065 | RDKit | |
| Molar Refractivity | 45.228000000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 248.026374032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 248.49 g/mol; density = 1.670 g/mL. Edit any field — others recompute live.
