1.0 2010-04-08 22:13:50 UTC 2015-07-21 06:29:28 UTC FDB018625 Acid yellow 23 Colour additive for desserts, candies, preserves, beverages, prepared meats and canned and frozen vegetables. Putative food allergen 1310 Yellow 1409 Yellow Acid yellow 23 C.I. Acid Yellow 23 C.I. Food Yellow 4 Dye yellow lake FD and C Yellow No. 5 Food Yellow No. 4 Hexacol tartrazine Hidazid tartrazine Hydrazine yellow Lake yellow Tartar yellow FS Tartraphenine Tartrazine Tartrazine lake Tartrazine trisodium salt Tartrazine Yellow 5 Tartrazol yellow Yellow Lake 69 Yellow No. 5 C16H9N4Na3O9S2 534.363 533.950403311 trisodium 5-hydroxy-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-1H-pyrazole-3-carboxylate trisodium 5-hydroxy-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]pyrazole-3-carboxylate 1934-21-0 [Na+].[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=NN1C1=CC=C(C=C1)S([O-])(=O)=O)C([O-])=O InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;; YXHBBEQKMVAJOH-GLCFPVLVSA-K belongs to the class of organic compounds known as phenylpyrazoles. Phenylpyrazoles are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. Phenylpyrazoles Organic compounds Organoheterocyclic compounds Azoles Pyrazoles Aromatic heteromonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Azacyclic compounds Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Carboxylic acid salts Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Pyrazole carboxylic acids and derivatives Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Aromatic heteromonocyclic compound Arylsulfonic acid or derivatives Azacycle Azo compound Benzenesulfonate Benzenesulfonyl group Benzenoid Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic 1,3-dipolar compound Organic alkali metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenylpyrazole Propargyl-type 1,3-dipolar organic compound Pyrazole-3-carboxylic acid or derivatives Pyrazole-5-carboxylic acid or derivatives Sulfonyl logp 2.30 ALOGPS logs -3.11 ALOGPS solubility 4.14e-01 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic -3.9 ChemAxon pka_strongest_basic -0.98 ChemAxon iupac trisodium 5-hydroxy-1-(4-sulfonatophenyl)-4-[(E)-2-(4-sulfonatophenyl)diazen-1-yl]-1H-pyrazole-3-carboxylate ChemAxon average_mass 534.363 ChemAxon mono_mass 533.950403311 ChemAxon smiles [Na+].[Na+].[Na+].OC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(=NN1C1=CC=C(C=C1)S([O-])(=O)=O)C([O-])=O ChemAxon formula C16H9N4Na3O9S2 ChemAxon inchi InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;; ChemAxon inchikey YXHBBEQKMVAJOH-GLCFPVLVSA-K ChemAxon polar_surface_area 217.3 ChemAxon refractivity 116.7 ChemAxon polarizability 41.84 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 1 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22210 Specdb::MsMs 315310 Specdb::MsMs 315311 Specdb::MsMs 315312 Specdb::MsMs 361252 Specdb::MsMs 361253 Specdb::MsMs 361254 HMDB39116 9405 #<Reference:0x000055ce33312750>