4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile
Chemical Structure Depiction of
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile
Compound characteristics
| Compound ID: | 8019-4358 |
| Compound Name: | 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile |
| Molecular Weight: | 265.26 |
| Molecular Formula: | C13 H15 N O5 |
| Smiles: | COc1cc(CC(CC#N)O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1323 |
| logD: | 1.1323 |
| logSw: | -1.5447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.181 |
| InChI Key: | ZLRZVVQFYFJUNH-SECBINFHSA-N |