162828-18-4
Product Name:
3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, me thyl ester
Formula:
C16H13N3O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 311.29 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 311.09060590 g/mol |
| Monoisotopic Mass | 311.09060590 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 509 |
| 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 |