3-{4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1146 |
| Compound Name: | 3-{4-methyl-2-oxo-7-[(3-phenylprop-2-en-1-yl)oxy]-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C22 H20 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OC/C=C/c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0194 |
| logD: | 1.5231 |
| logSw: | -4.3285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.69 |
| InChI Key: | PKFXSDUFDMDCIH-UHFFFAOYSA-N |