methyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
Chemical Structure Depiction of
methyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
methyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate
Compound characteristics
| Compound ID: | 1630-0366 |
| Compound Name: | methyl 2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoate |
| Molecular Weight: | 276.2 |
| Molecular Formula: | C12 H8 N2 O6 |
| Smiles: | COC(C(=C\c1cc2c(cc1[N+]([O-])=O)OCO2)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9435 |
| logD: | 1.9435 |
| logSw: | -2.2091 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.665 |
| InChI Key: | CLUAMHXOLBPWKT-UHFFFAOYSA-N |