2-(2H-1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-1-benzopyran
2-(2H-1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-4336 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 327.29 |
| Molecular Formula: | C17 H13 N O6 |
| Smiles: | COc1cccc2C=C(C(c3ccc4c(c3)OCO4)Oc12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6832 |
| logD: | 3.6832 |
| logSw: | -4.0344 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.109 |
| InChI Key: | QWOUKIOUQBZKAX-INIZCTEOSA-N |