CHEBI:15702 - terephthalic acid

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ChEBI Name terephthalic acid ChEBI ID CHEBI:15702 Definition A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9452, CHEBI:26870 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C8H6O4 Net Charge 0 Average Mass 166.13084 Monoisotopic Mass 166.02661 InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-N SMILES OC(=O)c1ccc(cc1)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing terephthalic acid (CHEBI:15702) is a benzenedicarboxylic acid (CHEBI:26094) terephthalic acid (CHEBI:15702) is conjugate acid of terephthalate(1−) (CHEBI:30801) Incoming 4-[(2-hydroxyethoxy)carbonyl]benzoic acid (CHEBI:131735) has functional parent terephthalic acid (CHEBI:15702) 4-carbamoylbenzoic acid (CHEBI:50738) has functional parent terephthalic acid (CHEBI:15702) dimethyl terephthalate (CHEBI:156286) has functional parent terephthalic acid (CHEBI:15702) tamibarotene (CHEBI:32181) has functional parent terephthalic acid (CHEBI:15702) terephthalamide (CHEBI:38802) has functional parent terephthalic acid (CHEBI:15702) terephthalate(1−) (CHEBI:30801) is conjugate base of terephthalic acid (CHEBI:15702) IUPAC Name benzene-1,4-dicarboxylic acid Synonyms Sources 1,4-Benzenedicarboxylic acid KEGG COMPOUND p-benzenedicarboxylic acid NIST Chemistry WebBook para-benzenedicarboxylic acid ChEBI Terephthalic acid KEGG COMPOUND terephthalic acid IUPAC TPA NIST Chemistry WebBook Manual Xrefs Databases C06337 KEGG COMPOUND HMDB0002428 HMDB TEREPHTHALATE MetaCyc Terephthalic_acid Wikipedia View more database links Registry Numbers Types Sources 100-21-0 CAS Registry Number KEGG COMPOUND 100-21-0 CAS Registry Number ChemIDplus 100-21-0 CAS Registry Number NIST Chemistry WebBook 1909333 Reaxys Registry Number Reaxys 1909333 Beilstein Registry Number Beilstein 50561 Gmelin Registry Number Gmelin Citations Types Sources 24101250 PubMed citation Europe PMC 24473302 PubMed citation Europe PMC 24527803 PubMed citation Europe PMC Last Modified 10 August 2020