1.0 2010-04-08 22:10:34 UTC 2019-11-26 03:08:06 UTC FDB013187 5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone Constituent of Juglans regia (walnut) and Juglans nigra (black walnut). 5-Hydroxy-2,3-dimethyl-1,4-naphthoquinone is found in nuts. 3-Methylplumbagin C12H10O3 202.206 202.062994186 5-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione 5-hydroxy-2,3-dimethylnaphthalene-1,4-dione 80596-51-6 CC1=C(C)C(=O)C2=C(C=CC=C2O)C1=O InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3 WBPHCLSNRLPSPK-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 2.31 ALOGPS logs -2.38 ALOGPS solubility 8.42e-01 g/l ALOGPS melting_point Mp 120-121° logp 2.63 ChemAxon pka_strongest_acidic 9.46 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5-hydroxy-2,3-dimethyl-1,4-dihydronaphthalene-1,4-dione ChemAxon average_mass 202.206 ChemAxon mono_mass 202.062994186 ChemAxon smiles CC1=C(C)C(=O)C2=C(C=CC=C2O)C1=O ChemAxon formula C12H10O3 ChemAxon inchi InChI=1S/C12H10O3/c1-6-7(2)12(15)10-8(11(6)14)4-3-5-9(10)13/h3-5,13H,1-2H3 ChemAxon inchikey WBPHCLSNRLPSPK-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 56.88 ChemAxon polarizability 20.54 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11008 Specdb::CMs 43978 Specdb::CMs 137427 Specdb::CMs 145161 Specdb::MsIr 6650 Specdb::MsIr 6651 Specdb::MsIr 6652 Specdb::MsMs 8669 Specdb::MsMs 8670 Specdb::MsMs 8671 Specdb::MsMs 15341 Specdb::MsMs 15342 Specdb::MsMs 15343 Specdb::MsMs 2309124 Specdb::MsMs 2309125 Specdb::MsMs 2309126 Specdb::MsMs 2656510 Specdb::MsMs 2656511 Specdb::MsMs 2656512 HMDB34663 #<Reference:0x000055ce33307e18> Nuts Unknown generic