126664-28-6
Product Name:
4-(2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)BUTAN-2-ONE
Formula:
C8H11N3O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >29.6 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 197.19 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 197.08004122 g/mol |
| Monoisotopic Mass | 197.08004122 g/mol |
| Topological Polar Surface Area | 80.7 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 239 |
| 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 |