7-[(3-oxobutan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(3-oxobutan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
7-[(3-oxobutan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0044 |
| Compound Name: | 7-[(3-oxobutan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 300.23 |
| Molecular Formula: | C14 H11 F3 O4 |
| Smiles: | CC(C(C)=O)Oc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3667 |
| logD: | 2.3667 |
| logSw: | -2.8617 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.262 |
| InChI Key: | APGJBVGUKHHJPW-QMMMGPOBSA-N |