5-hydroxy-2,2-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
5-hydroxy-2,2-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydro-4H-1-benzopyran-4-one
5-hydroxy-2,2-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1461 |
| Compound Name: | 5-hydroxy-2,2-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 371.34 |
| Molecular Formula: | C19 H17 N O7 |
| Smiles: | CC1(C)CC(c2c(cc(cc2O1)OCC(c1cccc(c1)[N+]([O-])=O)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1801 |
| logD: | 3.1796 |
| logSw: | -3.459 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.223 |
| InChI Key: | PUBUJTLPIQKFEL-UHFFFAOYSA-N |