8-methoxy-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
8-methoxy-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0122 |
| Compound Name: | 8-methoxy-3-[3-(3-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 351.31 |
| Molecular Formula: | C19 H13 N O6 |
| Smiles: | COc1cccc2C=C(C(/C=C/c3cccc(c3)[N+]([O-])=O)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.4951 |
| logD: | 3.4951 |
| logSw: | -3.8943 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.832 |
| InChI Key: | RHLONGAWQSGSOH-UHFFFAOYSA-N |