5-methyl-5-nitro-2-(3-nitrophenyl)-1,3-dioxane
Chemical Structure Depiction of
5-methyl-5-nitro-2-(3-nitrophenyl)-1,3-dioxane
5-methyl-5-nitro-2-(3-nitrophenyl)-1,3-dioxane
Compound characteristics
| Compound ID: | 0096-0136 |
| Compound Name: | 5-methyl-5-nitro-2-(3-nitrophenyl)-1,3-dioxane |
| Molecular Weight: | 268.22 |
| Molecular Formula: | C11 H12 N2 O6 |
| Smiles: | CC1(COC(c2cccc(c2)[N+]([O-])=O)OC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6987 |
| logD: | 1.6987 |
| logSw: | -1.7297 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.418 |
| InChI Key: | DBLXIGQNRVSWES-UHFFFAOYSA-N |