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CHEBI:15702 - terephthalic acid

ChEBI IDCHEBI:15702
ChEBI Nameterephthalic acid
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:9452, CHEBI:26870
Last Modified10 August 2020
DownloadsMolfile

FormulaC8H6O4
Net Charge0
Average Mass166.132
Monoisotopic Mass166.02661
SMILESO=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKeyKKEYFWRCBNTPAC-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
benzene-1,4-dicarboxylic acid
Synonyms  Source
Terephthalic acidKEGG COMPOUND
1,4-Benzenedicarboxylic acidKEGG COMPOUND
terephthalic acidIUPAC
p-benzenedicarboxylic acidNIST Chemistry WebBook
TPANIST Chemistry WebBook
para-benzenedicarboxylic acidChEBI
Manual XrefsDatabases
C06337KEGG COMPOUND
TEREPHTHALATEMetaCyc
HMDB0002428HMDB
Terephthalic_acidWikipedia
Registry NumbersSources
Gmelin:50561Gmelin
Reaxys:1909333Reaxys
CAS:100-21-0KEGG COMPOUND
CAS:100-21-0ChemIDplus
CAS:100-21-0NIST Chemistry WebBook
Citations