3-butanoyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-butanoyl-7-hydroxy-2H-1-benzopyran-2-one
3-butanoyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0140 |
| Compound Name: | 3-butanoyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 232.23 |
| Molecular Formula: | C13 H12 O4 |
| Smiles: | CCCC(C1=Cc2ccc(cc2OC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1664 |
| logD: | 2.0936 |
| logSw: | -2.6739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.024 |
| InChI Key: | PLTCLOZYLFQMLA-UHFFFAOYSA-N |