7-methyl-9-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-methyl-9-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-methyl-9-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y041-2040 |
| Compound Name: | 7-methyl-9-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C21 H17 N O6 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1715 |
| logD: | 4.1715 |
| logSw: | -4.5891 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.389 |
| InChI Key: | UHYJNQCLVVOBEU-UHFFFAOYSA-N |