50743-19-6
Product Name:
6-ETHYL-4-OXO-4H-1-BENZOPYRAN-3-CARBO-NI TRILE, 99
Formula:
C12H9NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 199.20 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.063328530 g/mol |
| Monoisotopic Mass | 199.063328530 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 350 |
| 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 |