methyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate
methyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | R052-0951 |
| Compound Name: | methyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 225.15 |
| Molecular Formula: | C9 H7 N O6 |
| Smiles: | COC(c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8213 |
| logD: | 1.8213 |
| logSw: | -2.164 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.608 |
| InChI Key: | OYWDFLIPTKVKKY-UHFFFAOYSA-N |