3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | 8020-4740 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C12 H10 N2 O4 |
| Smiles: | C1COc2cc(ccc2O1)c1c(c[nH]n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0522 |
| logD: | -2.5625 |
| logSw: | -2.2186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.66 |
| InChI Key: | MVEKIIOGRJIBLX-UHFFFAOYSA-N |