methyl 4-[3-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
methyl 4-[3-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate
Compound characteristics
| Compound ID: | K229-1035 |
| Compound Name: | methyl 4-[3-(8-ethoxy-2-oxo-2H-1-benzopyran-3-yl)-3-oxoprop-1-en-1-yl]benzoate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C22 H18 O6 |
| Smiles: | CCOc1cccc2C=C(C(/C=C/c3ccc(cc3)C(=O)OC)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1876 |
| logD: | 4.1876 |
| logSw: | -4.5205 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.204 |
| InChI Key: | PNQZPYCBQLUZMT-UHFFFAOYSA-N |