52549-16-3
Product Name:
ALFA-METHYL-ALFA-CYANO-5H-[1] BENZOPYRANO [2,3-B] PYRIDINE-7-ACETIC ACID ETHYL ESTER
Formula:
C18H16N2O3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 308.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.11609238 g/mol |
| Monoisotopic Mass | 308.11609238 g/mol |
| Topological Polar Surface Area | 72.2 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |