methyl {4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-0221 |
| Compound Name: | methyl {4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C17 H18 O5 |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CC(=O)OC)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1019 |
| logD: | 3.1019 |
| logSw: | -3.2213 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.238 |
| InChI Key: | QFOKOQGQTUAMOL-UHFFFAOYSA-N |