diethyl [1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
Chemical Structure Depiction of
diethyl [1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
diethyl [1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
Compound characteristics
| Compound ID: | 8020-4845 |
| Compound Name: | diethyl [1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C17 H21 N O9 |
| Smiles: | CCOC(C(C(C[N+]([O-])=O)c1cc(c2c(c1)OCO2)OC)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1886 |
| logD: | -0.0833 |
| logSw: | -2.5854 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.824 |
| InChI Key: | YHEQTHXPNVITPB-LLVKDONJSA-N |