4-hydroxy-3-(2-methylpropanoyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-hydroxy-3-(2-methylpropanoyl)-2H-1-benzopyran-2-one
4-hydroxy-3-(2-methylpropanoyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K815-0252 |
| Compound Name: | 4-hydroxy-3-(2-methylpropanoyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 232.23 |
| Molecular Formula: | C13 H12 O4 |
| Smiles: | CC(C)C(C1=C(c2ccccc2OC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7815 |
| logD: | -1.7859 |
| logSw: | -2.5236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.97 |
| InChI Key: | CIIHMDBAZFNOFU-UHFFFAOYSA-N |