[(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-10-yl)oxy]acetic acid
Chemical Structure Depiction of
[(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-10-yl)oxy]acetic acid
[(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-10-yl)oxy]acetic acid
Compound characteristics
| Compound ID: | Y042-9177 |
| Compound Name: | [(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-10-yl)oxy]acetic acid |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C20 H22 O6 |
| Smiles: | CC1=CC(=O)Oc2c1cc1CCC3(CCCCC3)Oc1c2OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.689 |
| logD: | -0.548 |
| logSw: | -3.8329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.806 |
| InChI Key: | ZLMLUNYUGKTCKS-UHFFFAOYSA-N |