{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
Chemical Structure Depiction of
{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile
Compound characteristics
| Compound ID: | Y041-1235 |
| Compound Name: | {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetonitrile |
| Molecular Weight: | 335.31 |
| Molecular Formula: | C19 H13 N O5 |
| Smiles: | C1COc2cc(ccc2O1)C1=COc2cc(ccc2C1=O)OCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.4739 |
| logD: | 1.4739 |
| logSw: | -2.4645 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.593 |
| InChI Key: | HCOPPQBEOPYJNS-UHFFFAOYSA-N |