Compound: 4-HYDROXYBENZOIC ACID
SMILES: O=C(O)c1ccc(O)cc1
InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N
Synonyms: 4-HYDROXYBENZOIC ACID, 99-96-7, p-Hydroxybenzoic acid, p-Salicylic acid, 4-Carboxyphenol, Benzoic acid, 4-hydroxy-, Benzoic acid, p-hydroxy-, para-Hydroxybenzoic acid, p-Oxybenzoesaure, JG8Z55Y12H, DTXSID3026647, NSC-4961, DTXCID806647, FEMA NO. 3986, CHEBI:30763, CHEBI:17879, RefChem:25955, 202-804-9, 4-Hydroxybenzoate, p-carboxyphenol, 4-hydroxy benzoic acid, Hydroxybenzoic acid, 4-Hydroxybenzoesaeure, Paraben-acid, p-Oxybenzoesaure [German], p-hydroxy benzoic acid, 4-hydroxy-benzoic acid, Acido p-idrossibenzoico [Italian], Kyselina 4-hydroxybenzoova, Kyselina 4-hydroxybenzoova [Czech], NSC 4961, MFCD00002547, parahydroxybenzoic acid, HYDROXYBENZOIC ACID, PARA, p-hydroxy-Benzoic acid, Benzoic acid, 4-hydroxy, Hydroxybenzenecarboxylic acid, 4-HBA, HSDB 7233, CHEMBL441343, EINECS 202-804-9, AI3-01003, 3pcc, 3pch, 4-hydroxy-benzoate, 4-Hydroxybenzoicacid, Benzoic acid, p-hydroxy, WLN: QVR DQ, CAS-99-96-7, NSC4961, 30729-36-3, Acido p-idrossibenzoico, DB04242, NCGC00166040-01, PHB, UNII-JG8Z55Y12H, C00156, 4-Hydroxybenzenecarboxylic acid, p-Salicylate, AE-848/32195059, CCRIS 8812, p-hydroxy-Benzoate, Aspirin Impurity A, 4-OH benzoic acid, 4-hydoxybenzoic acid, 4-hyroxybenzoic acid, p-hydroxy-bezoic acid, phenol derivative, 8, 4-hydroxylbenzoic acid, rho-hydroxybenzoic acid, 4-Hydroxy-benzoesaeure, 4-hydroxybenzoi c acid, PHLORETIN_met004, 4-hydroxyl benzoic acid, 4-Hydroxybenzoate, III, AVOBENZONE_met002, 4beta-hydroxybenzoic acid, para-hydroxy benzoic acid, bmse000092, bmse000583, EC 202-804-9, SCHEMBL4110, BIDD:ER0706, SCHEMBL578580, SCHEMBL687138, p-Hydroxybenzoic Acid, Reagent, orb1304765, orb3139773, SCHEMBL2164510, SCHEMBL2441945, 4-hydroxybenzene carboxylic acid, BDBM26194, HY-Y0264R, MSK2535, 4-Hydroxybenzoic acid (Standard), HMS5082C09, P-HYDROXYBENZOIC ACID [MI], CS-D1180, HY-Y0264, STR01287, Tox21_202342, Tox21_303301, AC-008, BBL011981, EBC-44207, s3754, SBB040549, STL138745, 4-HYDROXYBENZOIC ACID [FHFI], 4-HYDROXYBENZOIC ACID [HSDB], 4-Hydroxybenzoic acid, >=99%, FG, AKOS000119033, CCG-266143, FH64214, NCGC00166040-02, NCGC00257058-01, NCGC00259891-01, H0207, NS00005418, ST50210584, 4-Hydroxybenzoic acid, ReagentPlus(R), 99%, EN300-21461, D86505, SALICYLIC ACID IMPURITY A [EP IMPURITY], 4-Hydroxybenzoic acid, ReagentPlus(R), >=99%, 4-Hydroxybenzoic acid, puriss., >=99.0% (T), F094430, Q229970, 4-Hydroxybenzoic acid (NIST) [Smart Confirmation], 46DD083D-BFD3-4CE1-B2D9-6C6D5FEFD3D9, 4-Hydroxybenzoic acid, Vetec(TM) reagent grade, 99%, ACETYLSALICYLIC ACID IMPURITY A [EP IMPURITY], PROPYL HYDROXYBENZOATE IMPURITY A [EP IMPURITY], 2-3-4'-TRIHYDROXY-4-METHOXYBENZOPHENONE_met005, F2191-0237, Z104498098, METHYL PARAHYDROXYBENZOATE IMPURITY A [EP IMPURITY], 2-3-DIHYDROXY-4-METHOXY-4'-ETHOXYBENZOPHENONE_met009, 4-Hydroxybenzoic acid, certified reference material, TraceCERT(R), 4-Hydroxybenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10, Sodium Ethyl Parahydroxybenzoate EP Impurity A; Aspirin Impurity A; Acetylsalicylic Acid EP Impurity A; Propyl Parahydroxybenzoate EP Impurity A
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:
physical_state: White granular crystalline powder consisting of monoclinic prisms
color: White granular crystalline powder consisting of monoclinic prisms
boiling_point: 334.00 to 335.00 °C. @ 760.00 mm Hg
melting_point: 214.5 °C
density: 1.46 g/cu cm @ 25 °C
solubility: Solubility (in 100 g of solution): 99% ethanol 38.75 g (67 °C); n-butanol 19.5 g (32.5 °C)
vapor_pressure: 0.00000019 [mmHg]
Descriptions:
pubchem: 4-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. It has a role as a plant metabolite and an algal metabolite. It is a conjugate acid of a 4-hydroxybenzoate.
chebi: A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.
chembl: PARABEN 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.