4-butyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
4-butyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0249 |
| Compound Name: | 4-butyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C17 H20 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4317 |
| logD: | 3.4317 |
| logSw: | -3.6376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.262 |
| InChI Key: | QJXZTPBZCKPFEH-LBPRGKRZSA-N |