131447-90-0
Product Name:
(1S,2S,3R,6S)-3-ACETOXY-3-METHYL-6-(1-METHYLETHYL)-2-(3-OXOBUTYL) CYCLOHEXANENITRILE
Formula:
C17H27NO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 293.4 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 293.19909372 g/mol |
| Monoisotopic Mass | 293.19909372 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 448 |
| 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 |