methyl 5-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate
methyl 5-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-5698 |
| Compound Name: | methyl 5-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-2-oxoethyl]-4-hydroxy-2-methylthiophene-3-carboxylate |
| Molecular Weight: | 350.34 |
| Molecular Formula: | C16 H14 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(c(C(C(c2ccc3c(c2)OCO3)=O)O)s1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4344 |
| logD: | 2.4238 |
| logSw: | -2.7027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.177 |
| InChI Key: | UOVZISGRYPDOGM-AWEZNQCLSA-N |