3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-2464 |
| Compound Name: | 3-{4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C17 H18 O5 |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CCC(O)=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9722 |
| logD: | 0.4759 |
| logSw: | -3.1895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.043 |
| InChI Key: | XJFSMFFDJCUAEY-UHFFFAOYSA-N |