130689-05-3
Product Name:
(Z)-2,3-Dihydro-3-(1,3-benzodioxol-5-ylmethylene)-6-methoxy-4H-1-benzo thiopyran-4-one
Formula:
C18H14O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 326.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 326.06128010 g/mol |
| Monoisotopic Mass | 326.06128010 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 491 |
| 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 |