5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid
5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | R314-0020 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C11 H7 N O5 |
| Smiles: | C1Oc2ccc(cc2O1)c1cc(C(O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.8438 |
| logD: | -3.3858 |
| logSw: | -1.9904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.297 |
| InChI Key: | QJHNOWCMLRIBJY-UHFFFAOYSA-N |