6606-06-0
Product Name:
2-Methylbenzilic acid=2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl ester
Formula:
C25H31NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 393.5 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 393.23039385 g/mol |
| Monoisotopic Mass | 393.23039385 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 524 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |