methyl 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylate
methyl 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | 8019-8586 |
| Compound Name: | methyl 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 285.21 |
| Molecular Formula: | C11 H11 N O8 |
| Smiles: | COC(c1c(c(c2c(c1OC)OCO2)OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7506 |
| logD: | 1.7506 |
| logSw: | -1.6193 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.11 |
| InChI Key: | BMWQSPJVPPUXCN-UHFFFAOYSA-N |