1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)prop-2-en-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8005-3816 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)prop-2-en-1-one |
| Molecular Weight: | 311.29 |
| Molecular Formula: | C17 H13 N O5 |
| Smiles: | C1COc2cc(ccc2O1)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8059 |
| logD: | 2.8059 |
| logSw: | -3.3368 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.418 |
| InChI Key: | GEHQMPQGQKXQSW-UHFFFAOYSA-N |