96219-78-2
Product Name:
2-[(DIMETHYLAMINO)METHYLENE]-3-(3,4-METHYLENEDIOXYPHENYL)-3-OXO-PROPANENITRILE
Formula:
C13H12N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 244.25 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.08479225 g/mol |
| Monoisotopic Mass | 244.08479225 g/mol |
| Topological Polar Surface Area | 62.6 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 408 |
| 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 |