8-ethoxy-3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
8-ethoxy-3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0972 |
| Compound Name: | 8-ethoxy-3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 365.34 |
| Molecular Formula: | C20 H15 N O6 |
| Smiles: | CCOc1cccc2C=C(C(/C=C/c3ccc(cc3)[N+]([O-])=O)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0225 |
| logD: | 4.0225 |
| logSw: | -4.314 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.411 |
| InChI Key: | UCZDSZOAGFGUDE-UHFFFAOYSA-N |