1004455-71-3
Product Name:
5-ISOBUTYL-2-METHYL-4-NITRO-2 H-PYRAZOLE-3-CARBOXYLIC ACID
Formula:
C9H13N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 227.22 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 227.09060590 g/mol |
| Monoisotopic Mass | 227.09060590 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 289 |
| 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 |