1.0 2016-09-30 22:20:14 UTC 2020-04-22 15:02:10 UTC BMDB0000152 BMDB00152 Gentisic acid 2,5-Dihydroxybenzoate 5-Hydroxysalicylic acid Gentisate Hydroquinonecarboxylic acid 2,5-Dihydroxybenzoic acid 5-Hydroxysalicylate Hydroquinonecarboxylate 2,5-Dioxybenzoate 2,5-Dioxybenzoic acid 3,6-Dihydroxybenzoate 3,6-Dihydroxybenzoic acid 5-Hydroxy-salicylate 5-Hydroxy-salicylic acid Carboxyhydroquinone Dihydroxybenzoicacid Gensigen Gensigon Gentisinate Gentisinic acid 2,5-Dihydroxybenzoic acid, monosodium salt Lithium 2,5-dihydroxybenzoate Gentisic acid Hydroquinone carboxylic acid C7H6O4 154.121 154.026608673 2,5-dihydroxybenzoic acid 2,5-dihydroxybenzoic acid 490-79-9 OC(=O)C1=C(O)C=CC(O)=C1 InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) WXTMDXOMEHJXQO-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. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Hydroxybenzoic acid derivatives 1-hydroxy-2-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Hydroquinones Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Salicylic acids Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Dihydroxybenzoic acid Hydrocarbon derivative Hydroquinone Hydroxybenzoic acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Salicylic acid Salicylic acid or derivatives Vinylogous acid Aromatic homomonocyclic compounds dihydroxybenzoic acid Solid melting_point 199.5 °C water_solubility 5.0 mg/mL at 5 °C logp 1.74 SANGSTER (1994) logp 1.23 ALOGPS logs -1.10 ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 2.53 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 2,5-dihydroxybenzoic acid ChemAxon average_mass 154.121 ChemAxon mono_mass 154.026608673 ChemAxon smiles OC(=O)C1=C(O)C=CC(O)=C1 ChemAxon formula C7H6O4 ChemAxon inchi InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) ChemAxon inchikey WXTMDXOMEHJXQO-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 37.28 ChemAxon polarizability 13.78 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1172 Specdb::EiMs 1745 Specdb::CMs 376 Specdb::CMs 1438 Specdb::CMs 5916 Specdb::CMs 29767 Specdb::CMs 30104 Specdb::CMs 30548 Specdb::CMs 31027 Specdb::CMs 32020 Specdb::CMs 37324 Specdb::CMs 174222 Specdb::CMs 1051657 Specdb::CMs 1051658 Specdb::CMs 1051660 Specdb::CMs 1051662 Specdb::CMs 1051664 Specdb::CMs 1051665 Specdb::CMs 1051667 Specdb::CMs 1051669 Specdb::CMs 1051671 Specdb::CMs 1051673 Specdb::CMs 1051675 Specdb::CMs 1051677 Specdb::CMs 1051679 Specdb::NmrOneD 1113 Specdb::NmrOneD 3878 Specdb::NmrOneD 4148 Specdb::NmrOneD 142570 Specdb::NmrOneD 142571 Specdb::NmrOneD 142572 Specdb::NmrOneD 142573 Specdb::NmrOneD 142574 Specdb::NmrOneD 142575 Specdb::NmrOneD 142576 Specdb::NmrOneD 142577 Specdb::NmrOneD 142578 Specdb::NmrOneD 142579 Specdb::NmrOneD 142580 Specdb::NmrOneD 142581 Specdb::NmrOneD 142582 Specdb::NmrOneD 142583 Specdb::NmrOneD 142584 Specdb::NmrOneD 142585 Specdb::NmrOneD 142586 Specdb::NmrOneD 142587 Specdb::NmrOneD 142588 Specdb::NmrOneD 142589 Specdb::MsIr 231 Specdb::MsIr 232 Specdb::MsIr 233 Specdb::MsMs 233 Specdb::MsMs 234 Specdb::MsMs 235 Specdb::MsMs 3105 Specdb::MsMs 3106 Specdb::MsMs 3107 Specdb::MsMs 3108 Specdb::MsMs 3109 Specdb::MsMs 3110 Specdb::MsMs 3111 Specdb::MsMs 3112 Specdb::MsMs 3113 Specdb::MsMs 3114 Specdb::MsMs 3116 Specdb::MsMs 3117 Specdb::MsMs 241120 Specdb::MsMs 241121 Specdb::MsMs 241122 Specdb::MsMs 243175 Specdb::MsMs 243176 Specdb::MsMs 243177 Specdb::MsMs 285532 Specdb::MsMs 285533 Specdb::MsMs 373677 Specdb::MsMs 373678 Urine Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 C00628 3350 FDB000844 3469 17189 416 CPD-633 C00002648 Gentisic_acid 618 Morris, Steward G. Preparation of gentisic acid and its fatty alcohol esters.Journal of the American Chemical Society (1949), 71 2056-7