206884-98-2
Product Name:
1-[3-CYANO-4-(2,2-DIMETHYL-PROPOXY)-PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID
Formula:
C16H17N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 299.32 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 299.12699141 g/mol |
| Monoisotopic Mass | 299.12699141 g/mol |
| Topological Polar Surface Area | 88.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 451 |
| 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 |