3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid
Chemical Structure Depiction of
3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid
3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid
Compound characteristics
| Compound ID: | 8014-0766 |
| Compound Name: | 3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylic acid |
| Molecular Weight: | 271.23 |
| Molecular Formula: | C10 H13 N3 O6 |
| Smiles: | CN1CC2(CC=C(C(O)=O)C(C2)(C1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0158 |
| logD: | -2.7341 |
| logSw: | -0.5234 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.648 |
| InChI Key: | VSNUYZMIBHERJG-UHFFFAOYSA-N |