3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5374 |
| Compound Name: | 3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 344.38 |
| Molecular Formula: | C18 H16 O5 S |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8925 |
| logD: | 3.8925 |
| logSw: | -4.0428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.922 |
| InChI Key: | ADLGAUNURHWNKW-UHFFFAOYSA-N |