[2-(2-methoxy-5-nitrophenyl)-5-nitro-1,3-dioxan-5-yl]methanol
Chemical Structure Depiction of
[2-(2-methoxy-5-nitrophenyl)-5-nitro-1,3-dioxan-5-yl]methanol
[2-(2-methoxy-5-nitrophenyl)-5-nitro-1,3-dioxan-5-yl]methanol
Compound characteristics
| Compound ID: | 8012-4078 |
| Compound Name: | [2-(2-methoxy-5-nitrophenyl)-5-nitro-1,3-dioxan-5-yl]methanol |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C12 H14 N2 O8 |
| Smiles: | COc1ccc(cc1C1OCC(CO)(CO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0255 |
| logD: | 1.0255 |
| logSw: | -1.9942 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.748 |
| InChI Key: | SDUSWHVFLIPORE-UHFFFAOYSA-N |