[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetic acid
Chemical Structure Depiction of
[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetic acid
[4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetic acid
Compound characteristics
| Compound ID: | 6134-4300 |
| Compound Name: | [4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenoxy]acetic acid |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C22 H22 O7 |
| Smiles: | COc1cc(ccc1OCC(O)=O)C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9546 |
| logD: | -2.2824 |
| logSw: | -2.4761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.997 |
| InChI Key: | VWEBWTPQILGSRV-UHFFFAOYSA-N |