3-methyl-1-[2-(3-nitrophenyl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-methyl-1-[2-(3-nitrophenyl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-methyl-1-[2-(3-nitrophenyl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y041-1394 |
| Compound Name: | 3-methyl-1-[2-(3-nitrophenyl)-2-oxoethoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C22 H19 N O6 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9688 |
| logD: | 4.9688 |
| logSw: | -4.8844 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.023 |
| InChI Key: | UGVOMCJESRMZSK-UHFFFAOYSA-N |