This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Beta-Resorcylic Acid

PubChem CID: 1491

Connections displayed (default: 10).
Loading graph...

Compound Synonyms 2,4-dihydroxybenzoic acid, 89-86-1, beta-Resorcylic acid, 4-Carboxyresorcinol, 4-Hydroxysalicylic acid, p-Hydroxysalicylic acid, Benzoic acid, 2,4-dihydroxy-, beta-Resorcinolic acid, 2,4-Dhba, 2,4-Dihydroxy-benzoic acid, .beta.-Resorcylic acid, RESORCYLIC ACID, BETA, 2,4-Resorcylic acid, MFCD00002451, .beta.-Resorcinolic acid, Coupler 320, NSC 13564, LU39SC9JYL, EINECS 201-946-9, Dihydroxybenzoic acid, 2,4-, BRN 1946213, DTXSID0025074, AI3-24366, FEMA 3798, NSC-4740, RESORCINOL-4-CARBOXYLIC ACID, NSC-13564, MLS001055408, DTXCID205074, BRA, FEMA NO. 3798, 4-10-00-01420 (Beilstein Handbook Reference), .BETA.-RESORCYLIC ACID [MI], SMR001227190, 2,4-DIHYDROXYBENZOIC ACID [FHFI], 2,4-Dihydroxy benzoic acid, 2,4-Dihydroxybenzoicacid, UNII-LU39SC9JYL, 4Carboxyresorcinol, 2,4-Dihydroxybenzoic acid, 4-Carboxyresorcinol, 4-Hydroxysalicylic acid, 2,4-DHBA, p-Hydroxysalicylic acid, betaResorcinolic acid, ss--Resorcylic acid, 2,4Resorcylic acid, pHydroxysalicylic acid, 4Hydroxysalicylic acid, 2,4dihydroxybenzoic acid, b-Resorcylic acid, 8CI, Resorcylic acid, .beta., 2,4-dihyrdoxybenzoic acid, 2.4-dihydroxybenzoic acid, beta resoryclic acid form I, cid_1491, 2,4- dihydroxybenzoic acid, Benzoic acid, 2,4dihydroxy, Oprea1_259729, SCHEMBL28080, 2,4DHBA, 2,4-bis(oxidanyl)benzoic acid, CHEMBL328910, BDBM74208, CHEBI:42094, CHEBI:89942, 2,4-hidyroxybenzoic acid form I, NSC4740, 2,4-Dihydroxybenzoic acid, 97%, 2,4Dihydroxybenzenecarboxylic acid, HMS3039A13, HMS3604D11, NSC13564, Tox21_202471, BBL011673, s6293, STK299216, 2,4-Dihydroxybenzoic acid, >=97%, AKOS001434143, CS-W013291, DB02839, FD34721, HY-W012575, CAS-89-86-1, NCGC00090922-01, NCGC00090922-02, NCGC00260020-01, AC-10404, DS-18507, PD007595, SY014322, D0568, NS00014677, EN300-06121, D78167, AE-562/41921969, L001160, Q209206, F1995-0247, Z104502292, 2,4-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%, 201-946-9
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 77.8
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCCCC1
Np Classifier Class Simple phenolic acids
Deep Smiles Occcccc6)O))C=O)O
Heavy Atom Count 11.0
Classyfire Class Benzene and substituted derivatives
Description Found in avocado, beer, wine and coffee. Food flavour ingredient and flavour modifier
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzoic acids and derivatives
Isotope Atom Count 0.0
Molecular Complexity 157.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, Q6IB77, P16473, P00352, P14780, P09917, P03956, P29477, P22894, P08254, P08253, P15917, O42713, Q96QE3, P83916, P10275, P37231, Q03181, O75496, Q16236, O94925, Q9ULX7, O43570, Q16790, P43166, P00918, P00915, O75874, O95398, P11511, P68400
Iupac Name 2,4-dihydroxybenzoic acid
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT210, NPT94, NPT954, NPT949, NPT948, NPT955, NPT233, NPT947
Xlogp 1.6
Superclass Benzenoids
Subclass Benzoic acids and derivatives
Gsk 4 400 Rule True
Molecular Formula C7H6O4
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key UIAFKZKHHVMJGS-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0
Logs -1.715
Rotatable Bond Count 1.0
State Solid
Logd 1.422
Synonyms &beta, -Resorcinolic acid, &beta, -Resorcylic acid, 2,4-DHBA, 2,4-Dihydroxy-benzoic acid, 4-Carboxyresorcinol, 4-Dihydroxy-benzoate, 4-Dihydroxybenzoate, 4-Hydroxysalicylic acid, b-Resorcylate, b-Resorcylic acid, b-Resorcylic acid, 8CI, Benzoic acid, 2,4-dihydroxy-, beta-Resorcinolic acid, beta-Resorcylate, beta-Resorcylic acid, FEMA 3798, p-Hydroxysalicylic acid, Resorcinol-4-carboxylic acid, Resorcylic acid, &beta, , Resorcylic acid, beta, β-resorcylate, β-resorcylic acid, 2,4-Dihydroxybenzoate, 24-Dihydroxybenzoic acid, 24-Dihydroxy-benzoic acid, Beta-Resorcylic acid, 24-Dihydroxybenzoate, 24-Dihydroxy-benzoate, b-Resorcylic acid, 8ci, P-Hydroxysalicylic acid, beta-Resorcylic acid, monosodium salt, beta-Resorcylic acid, sodium salt, beta-Resorcylic acid, lead salt, 2,4-dihydroxy benzoic acid, 2,4-dihydroxybenzoic acid, 2,4-dihydroxybenzoic-acid, beta-resorcylic acid
Substituent Name Dihydroxybenzoic acid, Salicylic acid, Salicylic acid or derivatives, Hydroxybenzoic acid, Benzoic acid, Resorcinol, Benzyl alcohol, Benzoyl, Phenol, Vinylogous acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups cC(=O)O, cO
Compound Name Beta-Resorcylic Acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 154.027
Formal Charge 0.0
Monoisotopic Mass 154.027
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 154.12
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.160086563636363
Inchi InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
Smiles C1=CC(=C(C=C1O)O)C(=O)O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Hydroxybenzoic acid derivatives
Np Classifier Superclass Phenolic acids (C6-C1)