3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-4278 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxopropanenitrile |
| Molecular Weight: | 203.19 |
| Molecular Formula: | C11 H9 N O3 |
| Smiles: | C(C#N)C(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3743 |
| logD: | -0.8955 |
| logSw: | -1.6217 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.8 |
| InChI Key: | POGKLPJUZGOSPG-UHFFFAOYSA-N |