4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one
Chemical Structure Depiction of
4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one
4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one
Compound characteristics
| Compound ID: | 8018-3528 |
| Compound Name: | 4-(6-nitro-2H-1,3-benzodioxol-5-yl)butan-2-one |
| Molecular Weight: | 237.21 |
| Molecular Formula: | C11 H11 N O5 |
| Smiles: | CC(CCc1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9883 |
| logD: | 1.9883 |
| logSw: | -2.1124 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.77 |
| InChI Key: | ZEDRNJMTGPWKKD-UHFFFAOYSA-N |