methyl 5-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
methyl 5-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8018-7498 |
| Compound Name: | methyl 5-(2H-1,3-benzodioxol-5-yl)-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C14 H13 N O5 |
| Smiles: | Cc1c(C(=O)OC)c(c(c2ccc3c(c2)OCO3)[nH]1)O |
| Stereo: | ACHIRAL |
| logP: | 2.5817 |
| logD: | 2.5796 |
| logSw: | -2.764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.717 |
| InChI Key: | IIDHRPPOWUHAGF-UHFFFAOYSA-N |