478-73-9
Product Name:
methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Pseudococaine
Formula:
C17H21NO4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 169.74 Ų [M+H]+ |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 303.35 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 303.14705815 g/mol |
| Monoisotopic Mass | 303.14705815 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 432 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |