109496-01-7
Product Name:
6-hydroxy-8-methyl-8-aza-bicyclo(3.2.1)octan-3-y1 2-phenylacrylate
Formula:
C17H21NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2306.3 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 287.35 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 287.15214353 g/mol |
| Monoisotopic Mass | 287.15214353 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 416 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylacrylate is a natural product found in Datura stramonium with data available.