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CHEBI:145052 - 1,4-cyclohexanedicarboxylic acid

Default Structure
ChEBI IDCHEBI:145052
ChEBI Name1,4-cyclohexanedicarboxylic acid
Stars
DefinitionA dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4.
Last Modified15 October 2019
Submittermwilliams
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESO=C(O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKeyPXGZQGDTEZPERC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1,4-cyclohexanedicarboxylic acid (CHEBI:145052) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
cyclohexane-1,4-dicarboxylic acid
Synonym  Source
hexahydroterephthalic acidChemIDplus
Registry NumbersSources
CAS:1076-97-7ChemIDplus
CAS:1076-97-7NIST Chemistry WebBook
Citations