321574-25-8
Product Name:
1-Benzyl-1-methyl-1,3a,4,11c-tetrahydro-3H-benzo[5,6]chromeno[4,3-c]isoxazol-1-ium bromide
Formula:
C22H22NO2.Br
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 411.08339 g/mol |
| Monoisotopic Mass | 411.08339 g/mol |
| Topological Polar Surface Area | 18.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 477 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |