3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl acetate
3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | Y040-1796 |
| Compound Name: | 3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 232.23 |
| Molecular Formula: | C13 H12 O4 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9709 |
| logD: | 1.9709 |
| logSw: | -2.5714 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.911 |
| InChI Key: | CXEGEDUUGOIOEM-UHFFFAOYSA-N |