4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Chemical Structure Depiction of
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Compound characteristics
| Compound ID: | Y041-5363 |
| Compound Name: | 4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate |
| Molecular Weight: | 282.31 |
| Molecular Formula: | C13 H14 O5 S |
| Smiles: | CCC1=CC(=O)Oc2c1ccc(c2C)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1804 |
| logD: | 2.1804 |
| logSw: | -2.7952 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.565 |
| InChI Key: | YGYGHNPMSPSDAI-UHFFFAOYSA-N |