rel-(2R,5S)-2-(4-nitro-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(2R,5S)-2-(4-nitro-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(2R,5S)-2-(4-nitro-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8019-8561 |
| Compound Name: | rel-(2R,5S)-2-(4-nitro-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 239.18 |
| Molecular Formula: | C9 H9 N3 O5 |
| Smiles: | C1C([C@@H]2OCC([C@H]1n1cc(cn1)[N+]([O-])=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.4544 |
| logD: | -0.4544 |
| logSw: | -0.463 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.134 |
| InChI Key: | RHTZTGMVZGRMHG-WGQGIHMKSA-N |