2-oxo-4-propyl-2H-1-benzopyran-7-yl benzenesulfonate
Chemical Structure Depiction of
2-oxo-4-propyl-2H-1-benzopyran-7-yl benzenesulfonate
2-oxo-4-propyl-2H-1-benzopyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y041-5334 |
| Compound Name: | 2-oxo-4-propyl-2H-1-benzopyran-7-yl benzenesulfonate |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C18 H16 O5 S |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6806 |
| logD: | 3.6806 |
| logSw: | -3.9956 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.407 |
| InChI Key: | BRMCTVWRJHRBPH-UHFFFAOYSA-N |