methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | 8020-2697 |
| Compound Name: | methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C13 H12 N2 O4 |
| Smiles: | COC(c1cc(c2ccc3c(c2)OCCO3)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5679 |
| logD: | 1.5678 |
| logSw: | -2.0457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.725 |
| InChI Key: | IFNBKFLLENDCDX-UHFFFAOYSA-N |