498-46-4
Product Name:
(1α,2β,4β,5α)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7α-ol
Formula:
C8H13NO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1285 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 155.19 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 155.094628657 g/mol |
| Monoisotopic Mass | 155.094628657 g/mol |
| Topological Polar Surface Area | 36 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 179 |
| 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 |
PRODUCT INTRODUCTION
description
Scopine is a natural product found in Datura stramonium with data available.