3-butanoyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-butanoyl-2H-1-benzopyran-2-one
3-butanoyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K222-0418 |
| Compound Name: | 3-butanoyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 216.23 |
| Molecular Formula: | C13 H12 O3 |
| Smiles: | CCCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.598 |
| logD: | 2.598 |
| logSw: | -2.8639 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.407 |
| InChI Key: | HMTUJOLTTSWOHC-UHFFFAOYSA-N |