6645-81-4
Product Name:
3-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)-propanoic acid
Formula:
C8H11IN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 294.09 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 293.98653 g/mol |
| Monoisotopic Mass | 293.98653 g/mol |
| Topological Polar Surface Area | 55.1 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 201 |
| 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 |