4-butyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
4-butyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0248 |
| Compound Name: | 4-butyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 274.31 |
| Molecular Formula: | C16 H18 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7002 |
| logD: | 2.7002 |
| logSw: | -3.0784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.48 |
| InChI Key: | BAUMYRGKQXUMCI-UHFFFAOYSA-N |