[(4'-methyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-7-yl)oxy]acetic acid
Chemical Structure Depiction of
[(4'-methyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-7-yl)oxy]acetic acid
[(4'-methyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-7-yl)oxy]acetic acid
Compound characteristics
| Compound ID: | Y042-0449 |
| Compound Name: | [(4'-methyl-4-oxo-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-7-yl)oxy]acetic acid |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C17 H20 O5 |
| Smiles: | CC1CCC2(CC1)CC(c1ccc(cc1O2)OCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0883 |
| logD: | -1.1486 |
| logSw: | -3.3391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.105 |
| InChI Key: | SEMZCXYHIDQALP-UHFFFAOYSA-N |