2091577-34-1
Product Name:
1H-Pyrazole-5-carboxaldehyde, 1-(2-propyn-1-yl)-3-(3-thienyl)-
Formula:
C11H8N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 216.26 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.03573406 g/mol |
| Monoisotopic Mass | 216.03573406 g/mol |
| Topological Polar Surface Area | 63.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286 |
| 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 |