5-[(4-methoxybenzene-1-sulfonyl)methyl]furan-2-carboxylic acid
Chemical Structure Depiction of
5-[(4-methoxybenzene-1-sulfonyl)methyl]furan-2-carboxylic acid
5-[(4-methoxybenzene-1-sulfonyl)methyl]furan-2-carboxylic acid
Compound characteristics
| Compound ID: | K780-0699 |
| Compound Name: | 5-[(4-methoxybenzene-1-sulfonyl)methyl]furan-2-carboxylic acid |
| Molecular Weight: | 296.3 |
| Molecular Formula: | C13 H12 O6 S |
| Smiles: | COc1ccc(cc1)S(Cc1ccc(C(O)=O)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.537 |
| logD: | -2.4469 |
| logSw: | -2.0753 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.796 |
| InChI Key: | VLQOGKJKTDLBDD-UHFFFAOYSA-N |