100060-32-0
Product Name:
3-(1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO-2H-ISOINDOL-2-YL)PROPANENITRILE
Formula:
C11H12N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 204.22 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 204.089877630 g/mol |
| Monoisotopic Mass | 204.089877630 g/mol |
| Topological Polar Surface Area | 61.2 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 351 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |