3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-3806 |
| Compound Name: | 3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 352.34 |
| Molecular Formula: | C20 H16 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.987 |
| logD: | 2.987 |
| logSw: | -3.3168 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.117 |
| InChI Key: | JNCCQXURTMSOCE-UHFFFAOYSA-N |