Compound: 2,5-DIHYDROXYBENZOIC ACID
SMILES: O=C(O)c1c(O)ccc(c1)O
InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N
Synonyms: 2,5-DIHYDROXYBENZOIC ACID, gentisic acid, 490-79-9, Benzoic acid, 2,5-dihydroxy-, 5-Hydroxysalicylic acid, Gensigen, Gensigon, Hydroquinonecarboxylic acid, 2,5-Dhba, 2,5-Dioxybenzoic acid, Salicylic acid, 5-hydroxy-, Kyselina gentisinova, Acido gentisico, Acide gentisique, Acidum gentisicum, VP36V95O3T, NSC-27224, DTXSID4060078, CHEBI:17189, RefChem:639843, DTXCID6040660, 207-718-5, Gentisinic acid, MFCD00002460, Gentisic acid [INN], Gentisinate, Mesalazine EP Impurity G, 3,6-dihydroxybenzoic acid, NSC 27224, Kyselina 2,5-dihydroxybenzoova, CHEMBL1461, BENZOIC ACID,2,5-DIHYDROXY, Gentinatre, Gentalpin, Gentasol, Gentidol, Gentisan, Gentisod, Legential, Nagentis, Casate, Gabail, Nagent, Carboxyhydroquinone, Casate sodium, Gensalate sodium, Sodium-Gent, WLN: QVR BQ EQ, GENTISATE SODIUM, 2,5-Dihydroxy benzoic acid, Kyselina gentisinova [Czech], NSC8512, Acide gentisique [INN-French], Acido gentisico [INN-Spanish], Acidum gentisicum [INN-Latin], EINECS 207-718-5, Acido 2,5-diidrossibenzoico [Italian], BRN 2209119, gentisicacid, Kyselina 2,5-dihydroxybenzoova [Czech], Acido 2,5-diidrossibenzoico, UNII-VP36V95O3T, AI3-60431, Dihydroxybenzoicacid, GTQ, 2,5-Dioxybenzoate, GENOP, 5-hydroxy-Salicylate, 3,6-Dihydroxybenzoate, Spectrum_001241, 2,5dihydroxybenzoic acid, 5-hydroxy-Salicylic acid, Spectrum2_000773, Spectrum3_001326, Spectrum4_001821, Spectrum5_000581, 2,5,dihydroxybenzoic acid, bmse000326, GENTISIC ACID [II], GENTISIC ACID [MI], SCHEMBL3690, 2,5-dihydroxy-benzoic acid, 2,5-Dihydroxybenzoate, VI, NCIOpen2_000913, Oprea1_039290, BSPBio_003051, KBioGR_002487, KBioSS_001721, 4-10-00-01441 (Beilstein Handbook Reference), MLS002207134, DivK1c_000538, SCHEMBL446275, SPBio_000846, orb1304923, SCHEMBL6630470, SCHEMBL6631336, SCHEMBL6632202, GENTISIC ACID [WHO-DD], SCHEMBL29349919, HMS501K20, KBio1_000538, KBio2_001721, KBio2_004289, KBio2_006857, KBio3_002271, 2,5-Dihydroxybenzoic acid, tech, NINDS_000538, 2,5-Dihydroxybenzoic acid, 98%, HMS5082M13, HY-W001179R, KSB81567, MSK40048, NSC27224, NSC49098, BBL013232, BDBM50335808, CCG-40154, CK2181, EBC-48155, NSC-49098, s3799, SBB058777, STK426343, 2,5-Dihydroxybenzoic acid (Standard), AKOS003267857, CS-W001179, FD00317, HY-W001179, PS-6232, IDI1_000538, NCGC00178325-01, AC-23625, SMR000393742, SY014321, gentisic acid (2,5-dihydroxybenzoic acid), DB-051598, MESALAZINE IMPURITY G [EP IMPURITY], D0569, D2933, NS00007790, ST50824443, EN300-81715, 2,5-Dihydroxybenzoic acid, analytical standard, C00628, Gentisic acid; Hydroquinonecarboxylic acid; DHB, AE-562/40605400, F236790, Q417831, Resorcyllic acid, alphaodium 2,5-dihydroxybenzoate, 26A2CD0F-7EBD-431F-8BDA-168766205AE1, Z275164274, 2,5-Dihydroxybenzoic acid, matrix substance for MALDI-MS, >99.0% (HPLC), 2,5-Dihydroxybenzoic acid, matrix substance for MALDI-MS, >=99.5% (HPLC), Ultra pure, InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11
Theoretical properties:
molecular_formula: C7H6O4
molecular_weight: 154.12 g/mol
exact_mass: 154.02660867 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 77.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 199.5 °C
solubility: 5.0 mg/mL at 5 °C
vapor_pressure: 0.0000021 [mmHg]
Descriptions:
pubchem: 2,5-dihydroxybenzoic acid is a dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions. It has a role as a MALDI matrix material, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, a mouse metabolite, a fungal metabolite and a human metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,5-dihydroxybenzoate.
chebi: A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.
chembl: GENTISIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dihydroxybenzoic acids (DHBA) are a type of phenolic acids.
There are six main compounds, having all the same molecular formula C7H6O4. Those are:

2,3-Dihydroxybenzoic acid (2-Pyrocatechuic acid or hypogallic acid)
2,4-Dihydroxybenzoic acid (β-Resorcylic acid)
2,5-Dihydroxybenzoic acid (Gentisic acid)
2,6-Dihydroxybenzoic acid (γ-Resorcylic acid)
3,4-Dihydroxybenzoic acid (Protocatechuic acid)
3,5-Dihydroxybenzoic acid (α-Resorcylic acid)
Orsellinic acid is also a dihydoxybenzoic acid having an extra methyl group.