3-({4-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
3-({4-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
3-({4-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
Compound ID: | 5650-0060 |
Compound Name: | 3-({4-[(4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
Molecular Weight: | 430.41 |
Molecular Formula: | C25 H18 O7 |
Smiles: | C(c1cccc(c1)C(O)=O)Oc1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.6246 |
logD: | 1.7271 |
logSw: | -4.6664 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.118 |
InChI Key: | DVGGUAWOXMXGAY-UHFFFAOYSA-N |