ethyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
Chemical Structure Depiction of
ethyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
ethyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
Compound characteristics
| Compound ID: | 1630-0336 |
| Compound Name: | ethyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate |
| Molecular Weight: | 290.23 |
| Molecular Formula: | C13 H10 N2 O6 |
| Smiles: | CCOC(C(=C/c1cc2c(cc1[N+]([O-])=O)OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3313 |
| logD: | 2.3313 |
| logSw: | -2.5126 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.244 |
| InChI Key: | BDZOKVLURQFWED-UHFFFAOYSA-N |