| CAS Number | 2059948-72-8 |
| Catalog Number | AG01C05F |
| Chemical Name | 2-methanesulfonylcyclopropane-1,1-dicarboxylic acid |
| IUPAC Name | 2-methylsulfonylcyclopropane-1,1-dicarboxylic acid |
| InChI | InChI=1S/C6H8O6S/c1-13(11,12)3-2-6(3,4(7)8)5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10) |
| InChI Key | PGBGBZSNXSBKQU-UHFFFAOYSA-N |
| MDL Number | MFCD30497829 |
| Molecular Formula | C6H8O6S |
| Molecular Weight | 208.1891 |
| SMILES | CS(C1C(C(O)=O)(C(O)=O)C1)(=O)=O |
| Synonyms | 2-methanesulfonylcyclopropane-1,1-dicarboxylic acid,
2059948-72-8,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.184g/mol |
| Monoisotopic Mass | 208.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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