4-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
4-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate
Compound characteristics
| Compound ID: | Y042-7940 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl benzenesulfonate |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C16 H12 O5 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7612 |
| logD: | 2.7612 |
| logSw: | -3.5087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.407 |
| InChI Key: | KTWUIKRIDVQRDX-UHFFFAOYSA-N |