| CAS Number | 44820-79-3 |
| Catalog Number | AG019EKW |
| Chemical Name | (methylsulfonyl)methanesulfonic acid |
| IUPAC Name | methylsulfonylmethanesulfonic acid |
| InChI | InChI=1S/C2H6O5S2/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,5,6,7) |
| InChI Key | BYMKUFGVNOCUCC-UHFFFAOYSA-N |
| MDL Number | MFCD31652788 |
| Molecular Formula | C2H6O5S2 |
| Molecular Weight | 174.1960 |
| SMILES | CS(=O)(=O)CS(O)(=O)=O |
| Synonyms | 44820-79-3,
SCHEMBL5471678,
(Methylsulfonyl)methanesulfonic acid,
Methanesulfonic acid, 1-(methylsulfonyl),
MEthanesulfonic acid, 1-?(methylsulfonyl)?,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.185g/mol |
| Monoisotopic Mass | 173.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number