2097983-26-9
Product Name:
1H-Pyrazole-5-carboxylic acid, 1-(2-propyn-1-yl)-3-(2-thienyl)-, methyl ester
Formula:
C12H10N2O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 246.29 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.04629874 g/mol |
| Monoisotopic Mass | 246.04629874 g/mol |
| Topological Polar Surface Area | 72.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 339 |
| 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 |