477713-80-7
Product Name:
ETHYL 1-[(E)-2-CYANO-3-(DIMETHYLAMINO)-2-PROPENOYL]-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C13H16N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 276.29 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 276.12224039 g/mol |
| Monoisotopic Mass | 276.12224039 g/mol |
| Topological Polar Surface Area | 88.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 464 |
| 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 |