3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1141 |
| Compound Name: | 3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 416.81 |
| Molecular Formula: | C21 H17 Cl O7 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2cc(ccc12)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.8449 |
| logD: | 1.3487 |
| logSw: | -3.9778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.887 |
| InChI Key: | MXOBUTKMQUDIOI-UHFFFAOYSA-N |