3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y040-0229 |
| Compound Name: | 3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C18 H20 O5 |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CCC(O)=O)C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 3.5473 |
| logD: | 1.0511 |
| logSw: | -3.4802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.814 |
| InChI Key: | VJBAUCJMOJZEEI-UHFFFAOYSA-N |