551931-04-5
Product Name:
2-[CYANO(5-FORMYL-1-METHYL-1H-PYRROL-2-YL)METHYL]BENZENECARBONITRILE
Formula:
C15H11N3O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 249.27 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.090211983 g/mol |
| Monoisotopic Mass | 249.090211983 g/mol |
| Topological Polar Surface Area | 69.6 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 429 |
| 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 |