| CAS Number | 2055119-37-2 |
| Catalog Number | AG00I3XC(AGN-PC-0WQZ8I) |
| Chemical Name | Methyl 3,4-Dimethanesulfonylbenzoate |
| IUPAC Name | methyl 3,4-bis(methylsulfonyl)benzoate |
| InChI | InChI=1S/C10H12O6S2/c1-16-10(11)7-4-5-8(17(2,12)13)9(6-7)18(3,14)15/h4-6H,1-3H3 |
| InChI Key | BTENMFGJJVWDOY-UHFFFAOYSA-N |
| MDL Number | MFCD30527634 |
| Molecular Formula | C10H12O6S2 |
| Molecular Weight | 292.3287 |
| SMILES | COC(=O)c1ccc(c(c1)S(=O)(=O)C)S(=O)(=O)C |
| Synonyms | Methyl 3,4-dimethanesulfonylbenzoate,
2055119-37-2,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.00753g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.3g/mol |
| Monoisotopic Mass | 292.00753g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 111Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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