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CAS 3971-31-1

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1,3-Cyclohexanedicarboxylic acid

Description:
1,3-Cyclohexanedicarboxylic acid, with the CAS number 3971-31-1, is a bicyclic organic compound characterized by the presence of two carboxylic acid functional groups (-COOH) attached to a cyclohexane ring at the 1 and 3 positions. This compound is a colorless solid at room temperature and is soluble in polar solvents such as water and alcohols, owing to its ability to form hydrogen bonds. It exhibits moderate acidity due to the carboxylic acid groups, which can donate protons in solution. The compound is used in various applications, including as a building block in organic synthesis and in the production of polyesters and other polymers. Its structural features contribute to its potential as a chiral building block in asymmetric synthesis. Additionally, 1,3-cyclohexanedicarboxylic acid can undergo various chemical reactions, such as esterification and amidation, making it versatile in chemical transformations. Overall, its unique structure and functional groups make it an interesting compound in both industrial and research contexts.
Formula:C8H12O4
InChI:InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChI key:InChIKey=XBZSBBLNHFMTEB-UHFFFAOYSA-N
SMILES:C(O)(=O)C1CC(C(O)=O)CCC1
Synonyms:
  • 1,3-Benzenedicarboxylic acid, hexahydro-
  • 1,3-Cyclohexanedicarboxylic acid
  • 1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans
  • 3-Carboxycyclohexanecarboxylic acid
  • Cyclohexan-1,3-dicarboxylic acid
  • Cyclohexane-1,3-Dicarboxylic Acid
  • Hexahydroisophthalic acid
  • Isophthalic acid, hexahydro-
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