Compound: 3-Hydroxybenzoic acid
SMILES: O=C(O)c1cc(O)ccc1
InChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-N
Synonyms: 3-Hydroxybenzoic acid, 99-06-9, M-HYDROXYBENZOIC ACID, m-Salicylic acid, 3-Carboxyphenol, Benzoic acid, 3-hydroxy-, Benzoic acid, m-hydroxy-, DTXSID6021610, 2ZFW40OJ7U, CHEBI:30764, NSC-55746, AC PE 3HB, DTXCID601610, 3-hydroxybenzoic acid, monosodium salt, RefChem:25902, 202-726-5, m-Hba, 3-Hydroxy benzoic acid, Acido m-idrossibenzoico, Kyselina 3-hydroxybenzoova, 3-hydroxy-benzoic acid, meta-Hydroxybenzoic acid, MFCD00002506, NSC 55746, CHEMBL65369, m-hydroxybenzoate, 25302-76-5, 3HB, Acido m-idrossibenzoico [Italian], Kyselina 3-hydroxybenzoova [Czech], EINECS 202-726-5, UNII-2ZFW40OJ7U, BRN 0508160, m-carboxyphenol, m-salicylate, AI3-03110, 3pcb, 3-hydroxy benzoate, Aspirin Impurity C, meta-hydroxybenzoate, 3-Hydroxybenzoicacid, 3-OH benzoic acid, 3-hydroxybenzoic-acid, metahydroxybenzoic acid, 3-Hydroxybenzoate, II, Enamine_005356, bmse000324, Epitope ID:613440, SCHEMBL40078, SCHEMBL164005, orb1302520, SCHEMBL2467941, SCHEMBL4828985, SCHEMBL5406065, SCHEMBL5418093, SCHEMBL8430131, SCHEMBL29378849, HMS1409D10, HMS5086A18, NSC55746, Tox21_200527, BBL011983, BDBM50336491, EBC-03117, s6367, SBB058844, STL163473, AKOS000118958, MSK70011-100M, CS-W004049, FH37275, HY-W004049, PS-5406, CAS-99-06-9, NCGC00248676-01, NCGC00258081-01, PD144440, 3-Hydroxybenzoic acid, analytical standard, DB-028515, H0205, NS00014563, ST51038596, 3-Hydroxybenzoic acid, ReagentPlus(R), 99%, EN300-17318, C00587, AE-562/40227537, F208854, doi:10.14272/IJFXRHURBJZNAO-UHFFFAOYSA-N.1, Q2823216, 3-Hydroxybenzoic acid, Vetec(TM) reagent grade, 98%, m-Hydroxybenzoic acid Solution in Methanol, 100ug/mL, Z56919254, F9995-1635, 713EC407-4844-477D-8207-DBD66E398D2C, InChI=1/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10
Theoretical properties:
molecular_formula: C7H6O3
molecular_weight: 138.12 g/mol
exact_mass: 138.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 10
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 202 °C
solubility: 7.25 mg/mL at 25 °C
vapor_pressure: 0.000158 [mmHg]
Descriptions:
pubchem: 3-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. It has a role as a plant metabolite and a bacterial metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-hydroxybenzoate.
chebi: A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from <em>Taxus baccata</em>. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc.
chembl: 3-HYDROXYBENZOIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 4-Hydroxybenzoic acid, also known as p-hydroxybenzoic acid (PHBA), is a monohydroxybenzoic acid, a phenolic derivative of benzoic acid. It is a white crystalline solid that is slightly soluble in water and chloroform but more soluble in polar organic solvents such as alcohols and acetone. 4-Hydroxybenzoic acid is primarily known as the basis for the preparation of its esters, known as parabens, which are used as preservatives in cosmetics and some ophthalmic solutions.  It is isomeric with 2-hydroxybenzoic acid, known as salicylic acid, a precursor to aspirin, and with 3-hydroxybenzoic acid.