5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbaldehyde
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbaldehyde
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbaldehyde
Compound characteristics
| Compound ID: | 8020-3715 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carbaldehyde |
| Molecular Weight: | 230.22 |
| Molecular Formula: | C12 H10 N2 O3 |
| Smiles: | C1COc2cc(ccc2O1)c1c(C=O)cn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.9259 |
| logD: | 0.9259 |
| logSw: | -1.7597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.411 |
| InChI Key: | WHHUOCWLINQUEL-UHFFFAOYSA-N |