(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)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]-7-yl)acetic acid
(6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)acetic acid
Compound characteristics
| Compound ID: | Y041-3747 |
| Compound Name: | (6-methyl-8-oxo-3,4-dihydro-8H-spiro[benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-7-yl)acetic acid |
| Molecular Weight: | 342.39 |
| Molecular Formula: | C20 H22 O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2cc3c(CCC4(CCCCC4)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9058 |
| logD: | 0.4471 |
| logSw: | -3.9114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.28 |
| InChI Key: | DNRIWPCBIREDLI-UHFFFAOYSA-N |