3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-8121 |
| Compound Name: | 3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropanenitrile |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C12 H11 N O5 |
| Smiles: | COc1cc(C(CC#N)=O)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2584 |
| logD: | -0.0114 |
| logSw: | -1.911 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.809 |
| InChI Key: | QKUNKDXWHUQKSS-UHFFFAOYSA-N |