3-(ethoxycarbonyl)-5-hydroxy-2-methyl-1-benzofuran-6-sulfonic acid
Chemical Structure Depiction of
3-(ethoxycarbonyl)-5-hydroxy-2-methyl-1-benzofuran-6-sulfonic acid
3-(ethoxycarbonyl)-5-hydroxy-2-methyl-1-benzofuran-6-sulfonic acid
Compound characteristics
| Compound ID: | 4356-0613 |
| Compound Name: | 3-(ethoxycarbonyl)-5-hydroxy-2-methyl-1-benzofuran-6-sulfonic acid |
| Molecular Weight: | 300.28 |
| Molecular Formula: | C12 H12 O7 S |
| Smiles: | CCOC(c1c2cc(c(cc2oc1C)S(O)(=O)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4628 |
| logD: | -14.4356 |
| logSw: | -1.2933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.901 |
| InChI Key: | ISQBUDLXCVRHGK-UHFFFAOYSA-N |