2091653-88-0
Product Name:
1H-Pyrazole-4-carboxaldehyde, 1-(2-propyn-1-yl)-3-(4-pyridinyl)-
Formula:
C12H9N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 211.22 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 211.074561919 g/mol |
| Monoisotopic Mass | 211.074561919 g/mol |
| Topological Polar Surface Area | 47.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 290 |
| 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 |