89660-67-3
Product Name:
3(2H)-Isoxazolone, 5-[[(1,1-dimethylethyl)thio]methyl]-
Formula:
C8H13NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 187.26 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 187.06669983 g/mol |
| Monoisotopic Mass | 187.06669983 g/mol |
| Topological Polar Surface Area | 63.6 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 218 |
| 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 |