3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Chemical Structure Depiction of
3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | Y042-9429 |
| Compound Name: | 3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl cyclohexanecarboxylate |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C20 H22 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OC(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5873 |
| logD: | 3.5873 |
| logSw: | -3.724 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.309 |
| InChI Key: | XOKZIRWKQYRZMK-UHFFFAOYSA-N |