4,7-dimethoxy-5-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole
Chemical Structure Depiction of
4,7-dimethoxy-5-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole
4,7-dimethoxy-5-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole
Compound characteristics
| Compound ID: | 8019-8532 |
| Compound Name: | 4,7-dimethoxy-5-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole |
| Molecular Weight: | 267.24 |
| Molecular Formula: | C12 H13 N O6 |
| Smiles: | C/C(=C\c1cc(c2c(c1OC)OCO2)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9893 |
| logD: | 1.9893 |
| logSw: | -2.2097 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.708 |
| InChI Key: | WQRDYLOJWQMEFW-UHFFFAOYSA-N |