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Pyrocatechuic acid

  • Formula: C7H6O4

  • Molecular weight: 154.12

  • Smiles: C1=CC(=C(C(=C1)O)O)C(=O)O

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Pyrocatechuic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Pyrocatechuic acid

  • First synonym: 2,3-dihydroxybenzoic acid

  • Synonyms: 2,3-Dihydroxybenzoic acid,303-38-8,Pyrocatechuic acid,o-Pyrocatechuic acid,2-Pyrocatechuic acid,3-Hydroxysalicylic acid,DOBK,DHBA,Catecholcarboxylic acid,Benzoic acid, 2,3-dihydroxy-,dihydroxybenzoic acid,Resorcylic acid,2,3-Dihydroxybenzoicacid,2,3 DHB,2,3-DIHYDROXY-BENZOIC ACID,Catechol-3-carboxylic acid,2,3-dihydroxy benzoic acid,MFCD00002446,NSC 27435,UNII-70D5FBB392,27138-57-4,CHEBI:18026,70D5FBB392,Benzoic acid, dihydroxy-,EINECS 206-139-5,BRN 2209117,Pyrocatechuate,o-Pyrocatechuate,2,3-DIHDROXYBENZOIC ACID,Catecholcarboxylate,o-Pyrocatechuic acid (6CI,8CI),1l6m,3tf6,3u0d,ACMC-1CMFI,Spectrum2_001086,Spectrum3_001819,Benzoic acid,3-dihydroxy-,2,3 Dihydroxy-benzoic acid,2,3-Dihydroxybenzoate, IV,CHEMBL1432,SCHEMBL37458,BSPBio_003437,4-10-00-01414 (Beilstein Handbook Reference),MLS001066375,SPBio_001132,Pyrocatechol-3-carboxylic Acid,BDBM92456,KBio3_002940,DTXSID70858712,2,3-Dihydroxybenzoic acid, 99%,HMS2231J14,HMS3369A12,KUC106698N,ZINC388166,ACN-S002780,ACT00443,AMY17988,HY-Y0202,NSC27435,CCG-40337,NSC-27435,SBB008367,AKOS009156763,AC-2985,CS-W019844,DB01672,LS10681,MCULE-5691151631,PS-3013,SDCCGMLS-0066859.P001,NCGC00178064-01,BP-12659,KSC-11-207-9,SMR000471836,SY003494,AB0008295,DB-027090,FT-0609669,S4946,ST45028975,C00196,303D388,A820329,SR-01000761414,Q-200170,Q2823200,SR-01000761414-2,Z1741977971,2,3-Dihydroxybenzoic acid;Catecholcarboxylic acid;NSC 27435,FF124556-A828-490B-B324-9AE859B695FA

Identifiers / External links

Structure

  • Smiles: C1=CC(=C(C(=C1)O)O)C(=O)O

  • Isomeric smiles: C1=CC(=C(C(=C1)O)O)C(=O)O

  • Inchi: InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)

  • Inchikey: GLDQAMYCGOIJDV-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C7H6O4

  • Molecular weight: 154.12

  • Monoisotopic mass: 154.02660867

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