1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethan-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethan-1-one
1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethan-1-one
Compound characteristics
| Compound ID: | 8020-6596 |
| Compound Name: | 1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethan-1-one |
| Molecular Weight: | 269.21 |
| Molecular Formula: | C11 H11 N O7 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C(C[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2432 |
| logD: | -2.3862 |
| logSw: | -1.9854 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.367 |
| InChI Key: | YJBBQNRHTDBXJI-UHFFFAOYSA-N |