2060007-36-3
Product Name:
6-(1-Methyl-1H-pyrazol-5-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
Formula:
C9H12N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 228.27 g/mol |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 228.05686342 g/mol |
| Monoisotopic Mass | 228.05686342 g/mol |
| Topological Polar Surface Area | 72.9 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 377 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |