900014-98-4
Product Name:
4-[(E)-3-(1,3-BENZODIOXOL-4-YL)-2-CYANO-2-PROPENOYL]BENZENECARBONITRILE
Formula:
C18H10N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 302.3 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 302.06914219 g/mol |
| Monoisotopic Mass | 302.06914219 g/mol |
| Topological Polar Surface Area | 83.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 586 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |