Compound: Gallic acid
SMILES: O=C(O)c1cc(O)c(O)c(c1)O
InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N
Synonyms: Gallic acid, 3,4,5-Trihydroxybenzoic acid, 149-91-7, Benzoic acid, 3,4,5-trihydroxy-, Gallic acid, tech., Pyrogallol-5-carboxylic acid, Kyselina gallova, DTXSID0020650, NSC-20103, NSC-674319, CHEBI:30778, 632XD903SP, NSC20103, DTXCID60650, Acid, Gallic, Gallic Acid 1520, RefChem:6437, 3,4,5-hydroxybenzoic acid, 205-749-9, GALLIC ACID ANHYDROUS, GALOP, MFCD00002510, HSDB 2117, CCRIS 5523, NSC 674319, AI3-16412, Kyselina 3,4,5-trihydroxybenzoova, CHEMBL288114, 3,4,5-trihydroxy-Benzoic acid, NSC674319, NCGC00091125-01, 3,4,5-Trihydroxybenzoic acid, anhydrous, Kyselina gallova [Czech], CAS-149-91-7, Gallic acid [NF], SR-05000001537, EINECS 205-749-9, NSC 20103, BRN 2050274, gallic-acid, UNII-632XD903SP, Kyselina 3,4,5-trihydroxybenzoova [Czech], Gallic acid tech., Gallic Acid, F, GDE, Deuterated gallic acid, Spectrum_000342, Gallic acid (Standard), SpecPlus_000307, 5-Trihydroxybenzoic acid, Spectrum2_000399, Spectrum3_000254, Spectrum4_001544, Spectrum5_000108, GALLIC ACID [MI], bmse000389, 3,5-Trihydroxybenzoic acid, GALLIC ACID [HSDB], WLN: QVR CQ DQ EQ, 3,4,5-trihydroxy-Benzoate, Oprea1_087792, SCHEMBL15012, 3,4,5-Trihydroxybenzoicacid, BSPBio_001668, KBioGR_002008, KBioSS_000822, SPECTRUM210369, 3-10-00-02070 (Beilstein Handbook Reference), BIDD:ER0374, DivK1c_006403, GALLIC ACID [WHO-DD], SCHEMBL407763, SPBio_000617, 3,4,5-Trihydroxybenzoate, X, Benzoic acid,4,5-trihydroxy-, Gallic acid, 98% 250GR, GTPL5549, orb1310208, orb3025511, HY-N0523R, KBio1_001347, KBio2_000822, KBio2_003390, KBio2_005958, KBio3_001168, CPD-183, Gallic acid, puriss., 98.0%, MSK2307, GLXC-07618, HMS1923K07, HMS2091A07, HMS5083N19, HMS6019I06, Pharmakon1600-00210369, HY-N0523, NSC36997, ULA66092, Tox21_111089, Tox21_202515, BBL009937, BDBM50085536, CCG-38670, EBC-12174, NSC-36997, NSC755825, s4603, SBB008781, STK298718, AKOS000119625, Tox21_111089_1, AC-1206, CS-8191, FG11942, NSC-755825, PS-8710, SDCCGMLS-0066503.P001, 3,4,5-Trihydroxybenzoic acid anhydrous, NCGC00091125-02, NCGC00091125-03, NCGC00091125-04, NCGC00091125-05, NCGC00091125-07, NCGC00091125-13, NCGC00091125-14, NCGC00260064-01, DA-33612, ST083487, SY038078, SBI-0052184.P002, Gallic acid, 97.5-102.5% (titration), G0011, NS00013682, EN300-21542, C01424, D85056, 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0), AB00052697_03, F358297, Q375837, SR-05000001537-1, SR-05000001537-2, SR-05000001537-3, BRD-K77345217-001-01-9, BRD-K77345217-001-05-0, F1908-0156, Gallic acid, certified reference material, TraceCERT(R), Z104501122, 78563C7D-0E2D-4766-A8EA-670A03C78FCF, Dodecyl Gallate EP Impurity A; Octyl Gallate EP Impurity A; Gallic Acid, InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12, 137657-43-3, 31387-49-2
Theoretical properties:
molecular_formula: C7H6O5
molecular_weight: 170.12 g/mol
exact_mass: 170.02152329 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 12
topological_polar_surface_area: 98 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless or slightly yellow cyrstalline needles or prisms.
color: Colorless or slightly yellow cyrstalline needles or prisms.
boiling_point: SUBLIMES (NTP, 1992)
melting_point: 432 to 464 °F (decomposes) (NTP, 1992)
density: 1.7 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: Sparingly soluble (NTP, 1992)
vapor_pressure: 0.00000012 [mmHg]
Descriptions:
pubchem: Gallic acid is a trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a cyclooxygenase 2 inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an apoptosis inducer, an astringent, a plant metabolite and a human xenobiotic metabolite. It is a conjugate acid of a gallate.
chebi: A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5.
chembl: GALLIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Gallic acid (also known as 3,4,5-trihydroxybenzoic acid) is a trihydroxybenzoic acid with the formula C6H2(OH)3CO2H. It is classified as a phenolic acid. It is found in gallnuts, sumac, witch hazel, tea leaves, oak bark, and other plants. It is a white solid, although samples are typically brown owing to partial oxidation.  Salts and esters of gallic acid are termed "gallates".
Its name is derived from oak galls, which were historically used to prepare tannic acid. Despite the name, gallic acid does not contain gallium.