7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
Chemical Structure Depiction of
7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8020-5733 |
| Compound Name: | 7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carboxylic acid |
| Molecular Weight: | 241.15 |
| Molecular Formula: | C9 H7 N O7 |
| Smiles: | COc1c(c(cc2c1OCO2)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9992 |
| logD: | -1.2811 |
| logSw: | -2.3046 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.943 |
| InChI Key: | BBBIPDJLOKCSMD-UHFFFAOYSA-N |