1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:36 UTC FDB018740 2',4'-Dihydroxy-2-biphenylcarboxylic acid Constituent of Trifolium repens (white clover) (isol. as the permethyl deriv.). 2',4'-Dihydroxy-2-biphenylcarboxylic acid is found in tea, herbs and spices, and pulses. C13H10O4 230.2161 230.057908808 2-(2,4-dihydroxyphenyl)benzoic acid 2-(2,4-dihydroxyphenyl)benzoic acid OC(=O)C1=CC=CC=C1C1=C(O)C=C(O)C=C1 InChI=1S/C13H10O4/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,14-15H,(H,16,17) HEWUQKSXWXCJKK-UHFFFAOYSA-N belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. Biphenyls and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoic acid or derivatives Benzoyl Biphenyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol logp 2.80 ALOGPS logs -3.05 ALOGPS solubility 2.07e-01 g/l ALOGPS logp 2.67 ChemAxon pka_strongest_acidic 3.61 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 2-(2,4-dihydroxyphenyl)benzoic acid ChemAxon average_mass 230.2161 ChemAxon mono_mass 230.057908808 ChemAxon smiles OC(=O)C1=CC=CC=C1C1=C(O)C=C(O)C=C1 ChemAxon formula C13H10O4 ChemAxon inchi InChI=1S/C13H10O4/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,14-15H,(H,16,17) ChemAxon inchikey HEWUQKSXWXCJKK-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 62.41 ChemAxon polarizability 22.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26101 Specdb::CMs 46314 Specdb::CMs 136207 Specdb::CMs 143941 Specdb::MsMs 106074 Specdb::MsMs 106075 Specdb::MsMs 106076 Specdb::MsMs 172728 Specdb::MsMs 172729 Specdb::MsMs 172730 Specdb::MsMs 2749066 Specdb::MsMs 2749067 Specdb::MsMs 2749068 Specdb::MsMs 2932917 Specdb::MsMs 2932918 Specdb::MsMs 2932919 HMDB39209 #<Reference:0x000055ce32864df8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Pulses Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442