108128-37-6
Product Name:
ISONICOTINIC ACID, 3-CYANO-1,2-DIHYDRO-2-OXO-, ETHYL ESTER
Formula:
C9H8N2O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 192.17 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 192.05349212 g/mol |
| Monoisotopic Mass | 192.05349212 g/mol |
| Topological Polar Surface Area | 79.2 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 384 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |