1.0 2010-04-08 22:10:01 UTC 2019-11-26 03:06:15 UTC FDB012142 3,3'-Bisjuglone Constituent of Juglans regia (walnut). 3,3'-Bisjuglone is found in nuts. 3,3'-Bijuglone 8,8'-Dihydroxy[2,2'-binaphthalene]-1,1',4,4'-tetrone, 9CI C20H10O6 346.2898 346.047738052 8-hydroxy-2-(8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-1,4-dihydronaphthalene-1,4-dione 8-hydroxy-2-(8-hydroxy-1,4-dioxonaphthalen-2-yl)naphthalene-1,4-dione 61836-43-9 OC1=CC=CC2=C1C(=O)C(=CC2=O)C1=CC(=O)C2=C(C(O)=CC=C2)C1=O InChI=1S/C20H10O6/c21-13-5-1-3-9-15(23)7-11(19(25)17(9)13)12-8-16(24)10-4-2-6-14(22)18(10)20(12)26/h1-8,21-22H YSWLZVWSHJYBPI-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Naphthoquinones Organic compounds Benzenoids Naphthalenes Naphthoquinones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl ketones Hydrocarbon derivatives Organic oxides Quinones Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl ketone Hydrocarbon derivative Ketone Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Vinylogous acid logp 3.45 ALOGPS logs -3.64 ALOGPS solubility 7.88e-02 g/l ALOGPS melting_point Mp 270° dec. logp 3.12 ChemAxon pka_strongest_acidic 8.7 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 8-hydroxy-2-(8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 346.2898 ChemAxon mono_mass 346.047738052 ChemAxon smiles OC1=CC=CC2=C1C(=O)C(=CC2=O)C1=CC(=O)C2=C(C(O)=CC=C2)C1=O ChemAxon formula C20H10O6 ChemAxon inchi InChI=1S/C20H10O6/c21-13-5-1-3-9-15(23)7-11(19(25)17(9)13)12-8-16(24)10-4-2-6-14(22)18(10)20(12)26/h1-8,21-22H ChemAxon inchikey YSWLZVWSHJYBPI-UHFFFAOYSA-N ChemAxon polar_surface_area 108.74 ChemAxon refractivity 94.04 ChemAxon polarizability 33.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23249 Specdb::CMs 43593 Specdb::CMs 133795 Specdb::CMs 141529 Specdb::MsMs 78510 Specdb::MsMs 78511 Specdb::MsMs 78512 Specdb::MsMs 138867 Specdb::MsMs 138868 Specdb::MsMs 138869 Specdb::MsMs 2775683 Specdb::MsMs 2775684 Specdb::MsMs 2775685 Specdb::MsMs 2905647 Specdb::MsMs 2905648 Specdb::MsMs 2905649 HMDB33936 #<Reference:0x000055ce3164c8c8> Nuts Unknown generic