4-butyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Chemical Structure Depiction of
4-butyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
4-butyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Compound characteristics
| Compound ID: | Y041-5390 |
| Compound Name: | 4-butyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate |
| Molecular Weight: | 296.34 |
| Molecular Formula: | C14 H16 O5 S |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7081 |
| logD: | 2.7081 |
| logSw: | -3.2466 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.795 |
| InChI Key: | RMNLVUVRZGUJFY-UHFFFAOYSA-N |