6-amino-2H-1,3-benzodioxole-5-carboxylic acid
Chemical Structure Depiction of
6-amino-2H-1,3-benzodioxole-5-carboxylic acid
6-amino-2H-1,3-benzodioxole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8020-0127 |
| Compound Name: | 6-amino-2H-1,3-benzodioxole-5-carboxylic acid |
| Molecular Weight: | 181.14 |
| Molecular Formula: | C8 H7 N O4 |
| Smiles: | C1Oc2cc(C(O)=O)c(cc2O1)N |
| Stereo: | ACHIRAL |
| logP: | 1.607 |
| logD: | -0.7876 |
| logSw: | -1.707 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.858 |
| InChI Key: | OJTOAMSTANUUMJ-UHFFFAOYSA-N |