4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | K780-0317 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 218.21 |
| Molecular Formula: | C12 H10 O4 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.448 |
| logD: | 1.448 |
| logSw: | -2.1747 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.397 |
| InChI Key: | HXVZGASCDAGAPS-UHFFFAOYSA-N |