6-nitro-2H-1,3-benzodioxol-5-yl acetate
Chemical Structure Depiction of
6-nitro-2H-1,3-benzodioxol-5-yl acetate
6-nitro-2H-1,3-benzodioxol-5-yl acetate
Compound characteristics
| Compound ID: | 8018-3535 |
| Compound Name: | 6-nitro-2H-1,3-benzodioxol-5-yl acetate |
| Molecular Weight: | 225.15 |
| Molecular Formula: | C9 H7 N O6 |
| Smiles: | CC(=O)Oc1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.3383 |
| logD: | 1.3383 |
| logSw: | -1.7312 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.272 |
| InChI Key: | DECGMUJJYLXRPA-UHFFFAOYSA-N |