7-hydroxy-2-methyl-3-(4-nitrophenyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-hydroxy-2-methyl-3-(4-nitrophenyl)-4H-1-benzopyran-4-one
7-hydroxy-2-methyl-3-(4-nitrophenyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-3715 |
| Compound Name: | 7-hydroxy-2-methyl-3-(4-nitrophenyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 297.26 |
| Molecular Formula: | C16 H11 N O5 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0015 |
| logD: | 2.4224 |
| logSw: | -3.3062 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.324 |
| InChI Key: | TXGJXULXQOZKBO-UHFFFAOYSA-N |