3-hexanoyl-4-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexanoyl-4-hydroxy-2H-1-benzopyran-2-one
3-hexanoyl-4-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K815-0280 |
| Compound Name: | 3-hexanoyl-4-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 260.29 |
| Molecular Formula: | C15 H16 O4 |
| Smiles: | CCCCCC(C1=C(c2ccccc2OC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8457 |
| logD: | -1.0028 |
| logSw: | -3.2787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.478 |
| InChI Key: | YYKPAUBXEADKHN-UHFFFAOYSA-N |