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4-Hydroxybenzoate

PubChem CID: 54675830

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Compound Synonyms 4-hydroxybenzoate, p-hydroxybenzoate, p-Hydroxybenzoate anion, Benzoic acid, 4-hydroxy-, ion(1-), 456-23-5, 4-Hydroxybenzoate ion, 8MJB9HSC8Q, Benzoic acid, p-hydroxy-, ion(1-), 3pcc, 3pch, Hydroxybenzoic acid, 4-hydroxy-benzoate, Benzoic acid, p-hydroxy, WLN: QVR DQ, CHEMBL1762656, NSC4961, DB04242, NCGC00166040-01, C00156, AE-848/32195059, parahydroxybenzoate, 4-carboxyphenolate, 4-oxidanylbenzoate, para-hydroxybenzoate, 4e3g, PHB, UNII-8MJB9HSC8Q, H20059_ALDRICH, W398608_ALDRICH, p-Hydroxybenzoic acid monoanion, 240141_ALDRICH, p-Hydroxybenzoic acid ion(1-), 54630_FLUKA, CHEBI:17879, 4-hydroxybenzoic acid, ion(1-), DTXSID10196564, FJKROLUGYXJWQN-UHFFFAOYSA-M, AIDS018038, AIDS-018038, BDBM50340074, P-HYDROXYBENZENECARBOXYLIC ACID, ST5210584, NS00134210, A846111, Q27102693
Topological Polar Surface Area 60.4
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 125.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-carboxyphenolate
Prediction Hob 1.0
Xlogp 2.5
Molecular Formula C7H5O3-
Prediction Swissadme 0.0
Inchi Key FJKROLUGYXJWQN-UHFFFAOYSA-M
Fcsp3 0.0
Logs -1.619
Rotatable Bond Count 1.0
Logd 1.331
Compound Name 4-Hydroxybenzoate
Prediction Hob Swissadme 0.0
Exact Mass 137.024
Formal Charge -1.0
Monoisotopic Mass 137.024
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 137.11
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.0635068
Inchi InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1
Smiles C1=CC(=CC=C1C(=O)O)[O-]
Nring 1.0
Defined Bond Stereocenter Count 0.0