1.0 2010-04-08 22:04:43 UTC 2020-02-24 19:10:15 UTC FDB000823 2,4,6-Trihydroxybenzoic acid Isolated from onion skin (Allium species). 2,4,6-Trihydroxybenzoic acid is found in garden onion and onion-family vegetables. 2,4, 6-Trihydroxy benzoic acid 2,4,6-Trichydroxybenzoic acid 2,4,6-Trihydroxy benzoic acid 2,4,6-Trihydroxy-benzoic acid 2,4,6-Trihydroxybenzene carboxylic acid Phloroglucincarboxylic acid Phloroglucinic acid Phloroglucinol carboxylic acid Phloroglucinolcarboxylic acid C7H6O5 170.1195 170.021523302 2,4,6-trihydroxybenzoic acid 2,4,6-trihydroxybenzoic acid 83-30-7 OC(=O)C1=C(O)C=C(O)C=C1O InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12) IBHWREHFNDMRPR-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Hydroxybenzoic acid derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids 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 Phloroglucinols and derivatives Polyols Salicylic acids Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenetriol Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Phloroglucinol derivative Polyol Salicylic acid Salicylic acid or derivatives Trihydroxybenzoic acid Vinylogous acid logp 1.12 ALOGPS logs -1.46 ALOGPS solubility 5.97e+00 g/l ALOGPS melting_point Mp 207-210 dec. (monohydrate) logp 2.02 ChemAxon pka_strongest_acidic 1.83 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2,4,6-trihydroxybenzoic acid ChemAxon average_mass 170.1195 ChemAxon mono_mass 170.021523302 ChemAxon smiles OC(=O)C1=C(O)C=C(O)C=C1O ChemAxon formula C7H6O5 ChemAxon inchi InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12) ChemAxon inchikey IBHWREHFNDMRPR-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 39.26 ChemAxon polarizability 14.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3537 Specdb::MsIr 3538 Specdb::MsIr 3539 Specdb::CMs 5865 Specdb::CMs 41491 Specdb::CMs 167954 Specdb::MsMs 9554 Specdb::MsMs 9555 Specdb::MsMs 9556 Specdb::MsMs 16226 Specdb::MsMs 16227 Specdb::MsMs 16228 Specdb::MsMs 2741917 Specdb::MsMs 2741918 Specdb::MsMs 2741919 Specdb::MsMs 2940824 Specdb::MsMs 2940825 Specdb::MsMs 2940826 Specdb::NmrOneD 15902 Specdb::NmrOneD 15903 Specdb::NmrOneD 15904 Specdb::NmrOneD 15905 Specdb::NmrOneD 15906 Specdb::NmrOneD 15907 Specdb::NmrOneD 15908 Specdb::NmrOneD 15909 Specdb::NmrOneD 15910 Specdb::NmrOneD 15911 Specdb::NmrOneD 15912 Specdb::NmrOneD 15913 Specdb::NmrOneD 15914 Specdb::NmrOneD 15915 Specdb::NmrOneD 15916 Specdb::NmrOneD 15917 Specdb::NmrOneD 15918 Specdb::NmrOneD 15919 Specdb::NmrOneD 15920 Specdb::NmrOneD 15921 HMDB29649 #<Reference:0x000055ce31daee40> Garden onion Type 1 specific Allium cepa 4679 10.0 10.0 10.0 mg/100 g Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875