1.0 2010-04-08 22:15:24 UTC 2025-11-19 02:34:59 UTC FDB021004 (S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone Constituent of Juglans nigra (black walnut). (S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is found in nuts. C11H10O3 190.1953 190.062994186 5-hydroxy-2-methyl-1,2,3,4-tetrahydronaphthalene-1,4-dione 5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione 76372-21-9 CC1CC(=O)C2=C(C=CC=C2O)C1=O InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3 ALPCEXCHMFUSAN-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 alkyl ketones Hydrocarbon derivatives Organic oxides Quinones Tetralins Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Ketone Naphthoquinone Organic oxide Organic oxygen compound Organooxygen compound Quinone Tetralin Vinylogous acid logp 2.22 ALOGPS logs -1.87 ALOGPS solubility 2.57e+00 g/l ALOGPS melting_point Mp 89-91° logp 2.03 ChemAxon pka_strongest_acidic 9.44 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5-hydroxy-2-methyl-1,2,3,4-tetrahydronaphthalene-1,4-dione ChemAxon average_mass 190.1953 ChemAxon mono_mass 190.062994186 ChemAxon smiles CC1CC(=O)C2=C(C=CC=C2O)C1=O ChemAxon formula C11H10O3 ChemAxon inchi InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3 ChemAxon inchikey ALPCEXCHMFUSAN-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 51.67 ChemAxon polarizability 18.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9152 Specdb::MsIr 9153 Specdb::MsIr 9154 Specdb::MsMs 314902 Specdb::MsMs 314903 Specdb::MsMs 314904 Specdb::MsMs 360748 Specdb::MsMs 360749 Specdb::MsMs 360750 Specdb::MsMs 2771777 Specdb::MsMs 2771778 Specdb::MsMs 2771779 Specdb::MsMs 2910101 Specdb::MsMs 2910102 Specdb::MsMs 2910103 Specdb::NmrOneD 44782 Specdb::NmrOneD 44783 Specdb::NmrOneD 44784 Specdb::NmrOneD 44785 Specdb::NmrOneD 44786 Specdb::NmrOneD 44787 Specdb::NmrOneD 44788 Specdb::NmrOneD 44789 Specdb::NmrOneD 44790 Specdb::NmrOneD 44791 Specdb::NmrOneD 44792 Specdb::NmrOneD 44793 Specdb::NmrOneD 44794 Specdb::NmrOneD 44795 Specdb::NmrOneD 44796 Specdb::NmrOneD 44797 Specdb::NmrOneD 44798 Specdb::NmrOneD 44799 Specdb::NmrOneD 44800 Specdb::NmrOneD 44801 Specdb::CMs 22030 Specdb::CMs 47130 Specdb::CMs 162044 HMDB41122 #<Reference:0x000055ce307592d0> Nuts Unknown generic