903584-73-6
Product Name:
(Z)-4-methyl-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl methanesulfonate
Formula:
C16H13NO5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 331.3 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 331.05144369 g/mol |
| Monoisotopic Mass | 331.05144369 g/mol |
| Topological Polar Surface Area | 90.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 594 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |