diethyl [1-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
Chemical Structure Depiction of
diethyl [1-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
diethyl [1-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
Compound characteristics
| Compound ID: | 8020-3696 |
| Compound Name: | diethyl [1-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate |
| Molecular Weight: | 413.38 |
| Molecular Formula: | C18 H23 N O10 |
| Smiles: | CCOC(C(C(C[N+]([O-])=O)c1cc(c2c(c1OC)OCO2)OC)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8329 |
| logD: | -0.439 |
| logSw: | -2.3213 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.225 |
| InChI Key: | DCFKOKJNBHNPCE-LLVKDONJSA-N |