7597-88-8
Product Name:
1,2-Benzisothiazole-2(3H)-acetic acid, α-hexyl-3-oxo-, ethyl ester, 1,1-dioxide
Formula:
C17H23NO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 353.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 353.12969401 g/mol |
| Monoisotopic Mass | 353.12969401 g/mol |
| Topological Polar Surface Area | 89.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 554 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |