3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzonitrile
3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | 8020-1431 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzonitrile |
| Molecular Weight: | 265.27 |
| Molecular Formula: | C16 H11 N O3 |
| Smiles: | C1COc2cc(ccc2O1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2009 |
| logD: | 2.2009 |
| logSw: | -2.6247 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.585 |
| InChI Key: | KPKGNWFRWRCIME-UHFFFAOYSA-N |