3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0968 |
| Compound Name: | 3-[3-(4-nitrophenyl)prop-2-enoyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.29 |
| Molecular Formula: | C18 H11 N O5 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5562 |
| logD: | 3.5562 |
| logSw: | -3.8449 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.517 |
| InChI Key: | QFXNRCNXTVYFLC-UHFFFAOYSA-N |