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Sulfuric Acid, Monomethyl Ester, Potassium Salt (1:1)
CAS: 562-54-9 | CH4KO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
562-54-9
Molecular Formula:
CH4KO4S
Molecular Weight:
151.20399999999998 g/mol
Names and Synonyms:
Sulfuric Acid, Monomethyl Ester, Potassium Salt (1:1)
Sulfuric acid, monomethyl ester, potassium salt (1:1)
Sulfuric acid, monomethyl ester, potassium salt
Methyl potassium sulfate
Potassium methyl sulfate
Potassium monomethylsulfate
Identifiers:
SMILES:
COS(=O)(=O)O.[K]
InChI:
InChI=1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.20399999999998 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.946736288 g/mol | RDKit |
| Heavy | Heavy Atom Count | 7 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| Physical Properties | LogP | -0.9451999999999998 | RDKit |
| molecular_mass | 151.20 g/mol | Legacy Database | |
| cas-canonical-smile | [K].O=S(=O)(O)OC | Legacy Database | |
| cas-inchi | InChI=1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4); | Legacy Database | |
| cas-inchi-key | InChIKey=QSGKLHYFBNRKBE-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Sulfuric acid, monomethyl ester, potassium salt (1:1) | Legacy Database | |
| Molar | Molar Refractivity | 24.311599999999995 | RDKit |
