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Sulfuric Acid Magnesium Salt (1:1), Hydrate
CAS: 22189-08-8 | H4MgO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22189-08-8
Molecular Formula:
H4MgO5S
Molecular Weight:
140.39899999999997 g/mol
Names and Synonyms:
Sulfuric Acid Magnesium Salt (1:1), Hydrate
Magnesium sulfate (MgSO4), hydrate
Magnesium sulfate hydrate
Sulfuric acid magnesium salt (1:1), hydrate
Identifiers:
SMILES:
O.O=S(=O)(O)O.[Mg]
InChI:
InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 140.39899999999997 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 139.962985928 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 106.10000000000001 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -1.8582999999999998 | RDKit |
molecular_mass | 140.40 g/mol | Legacy Database |
cas-canonical-smile | [Mg].O=S(=O)(O)O.O None | Legacy Database |
cas-inchi | InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2 None | Legacy Database |
cas-inchi-key | InChIKey=KGMNHOOXYBNYQT-UHFFFAOYSA-N None | Legacy Database |
cas-name | Sulfuric acid magnesium salt (1:1), hydrate None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 23.5452 | RDKit |