54828-06-7
Product Name:
1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Formula:
C6H7N3O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >27.8 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 185.14 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 185.04365571 g/mol |
| Monoisotopic Mass | 185.04365571 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 13 |
| 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 |