7-(2,4-dinitrophenoxy)-4-methyl-3-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(2,4-dinitrophenoxy)-4-methyl-3-propyl-2H-1-benzopyran-2-one
7-(2,4-dinitrophenoxy)-4-methyl-3-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-6673 |
| Compound Name: | 7-(2,4-dinitrophenoxy)-4-methyl-3-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.34 |
| Molecular Formula: | C19 H16 N2 O7 |
| Smiles: | CCCC1=C(C)c2ccc(cc2OC1=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4868 |
| logD: | 4.4868 |
| logSw: | -4.5451 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.457 |
| InChI Key: | JVQMZTMTKGVESK-UHFFFAOYSA-N |