63633-85-2
Product Name:
METHYL 3-OXO-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE-6-CARBOXYLATE 1,1-DIOXIDE
Formula:
C9H7NO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 241.22 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.00449350 g/mol |
| Monoisotopic Mass | 241.00449350 g/mol |
| Topological Polar Surface Area | 97.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 424 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |