1.0 2010-04-08 22:09:20 UTC 2019-11-26 03:04:13 UTC FDB010865 1,4,5-Naphthalenetriol Occurs in green shells of unripe walnuts (Juglans species). 1,4,5-Naphthalenetriol is found in nuts. 1,4,5-Trihydroxynaphthalene a-Hydrojuglone Alpha-hydrojuglone naphthalene-1,4,5-triol C10H8O3 176.1687 176.047344122 naphthalene-1,4,5-triol naphthalene-1,4,5-triol 481-40-3 OC1=CC=CC2=C(O)C=CC(O)=C12 InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H NHEVNUARLCWEED-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position. Naphthols and derivatives Organic compounds Benzenoids Naphthalenes Naphthols and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Hydroquinones Polyols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-naphthol Aromatic homopolycyclic compound Hydrocarbon derivative Hydroquinone Organic oxygen compound Organooxygen compound Polyol logp 1.34 ALOGPS logs -2.07 ALOGPS solubility 1.50e+00 g/l ALOGPS melting_point Mp 168-170° logp 2.05 ChemAxon pka_strongest_acidic 8.78 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac naphthalene-1,4,5-triol ChemAxon average_mass 176.1687 ChemAxon mono_mass 176.047344122 ChemAxon smiles OC1=CC=CC2=C(O)C=CC(O)=C12 ChemAxon formula C10H8O3 ChemAxon inchi InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H ChemAxon inchikey NHEVNUARLCWEED-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 48.45 ChemAxon polarizability 17.21 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12085 Specdb::CMs 43007 Specdb::CMs 131537 Specdb::CMs 139271 Specdb::MsIr 5764 Specdb::MsIr 5765 Specdb::MsIr 5766 Specdb::MsMs 76587 Specdb::MsMs 76588 Specdb::MsMs 76589 Specdb::MsMs 136452 Specdb::MsMs 136453 Specdb::MsMs 136454 Specdb::MsMs 2682429 Specdb::MsMs 2682430 Specdb::MsMs 2682431 Specdb::MsMs 3022479 Specdb::MsMs 3022480 Specdb::MsMs 3022481 HMDB32883 #<Reference:0x00007f08a84ac420> Nuts Unknown generic