4-butyl-2-oxo-2H-1-benzopyran-5,7-diyl diacetate
Chemical Structure Depiction of
4-butyl-2-oxo-2H-1-benzopyran-5,7-diyl diacetate
4-butyl-2-oxo-2H-1-benzopyran-5,7-diyl diacetate
Compound characteristics
| Compound ID: | Y040-3795 |
| Compound Name: | 4-butyl-2-oxo-2H-1-benzopyran-5,7-diyl diacetate |
| Molecular Weight: | 318.32 |
| Molecular Formula: | C17 H18 O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(cc(c12)OC(C)=O)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3742 |
| logD: | 2.3742 |
| logSw: | -2.3351 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.235 |
| InChI Key: | NNERIYHMQXNJBX-UHFFFAOYSA-N |