6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
Chemical Structure Depiction of
6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8019-4756 |
| Compound Name: | 6-nitro-2H-1,3-benzodioxole-5-carboxylic acid |
| Molecular Weight: | 211.13 |
| Molecular Formula: | C8 H5 N O6 |
| Smiles: | C1Oc2cc(C(O)=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6124 |
| logD: | -2.1399 |
| logSw: | -1.8585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.843 |
| InChI Key: | XQJWBDDLVCMLAB-UHFFFAOYSA-N |