1.0 2026-09-21 14:43:21 UTC 2026-09-21 14:43:21 UTC FDB116596 purpurogallin 2,3,4,6-tetrahydroxybenzo[7]annulen-5-one C11H8O5 220.1782 220.037173366 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one purpurogallin OC1=C(O)C(O)=C2C(=C1)C=CC=C(O)C2=O InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) WDGFFVCWBZVLCE-UHFFFAOYSA-N belongs to the class of organic compounds known as tropolones. Tropolones are compounds containing tropone ring with a hydroxyl group at ring position 2. Tropolones Organic compounds Hydrocarbon derivatives Tropones Tropolones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclic ketones Organic oxides Polyols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Benzenoid Cyclic ketone Organic oxide Organic oxygen compound Organooxygen compound Polyol Tropolone cyclic ketone phenols tetrol logp 1.27 ALOGPS logs -2.22 ALOGPS solubility 1.33e+00 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_acidic 6.79 ChemAxon pka_strongest_basic 2.94 ChemAxon iupac 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one ChemAxon average_mass 220.1782 ChemAxon mono_mass 220.037173366 ChemAxon smiles OC1=C(O)C(O)=C2C(=C1)C=CC=C(O)C2=O ChemAxon formula C11H8O5 ChemAxon inchi InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) ChemAxon inchikey WDGFFVCWBZVLCE-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 59.05 ChemAxon polarizability 20.49 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 105631 Specdb::CMs 117729 Specdb::CMs 961028 Specdb::CMs 961029 Specdb::CMs 961030 Specdb::CMs 961031 Specdb::CMs 961032 Specdb::CMs 961033 Specdb::CMs 961034 Specdb::CMs 961035 Specdb::CMs 961036 Specdb::CMs 961037 Specdb::CMs 961038 Specdb::CMs 961039 Specdb::CMs 961040 Specdb::CMs 961041 Specdb::CMs 961042 Specdb::CMs 961043 Specdb::CMs 961044 Specdb::CMs 961045 Specdb::CMs 961046 Specdb::CMs 961047 Specdb::CMs 961048 Specdb::CMs 961049 Specdb::CMs 961050