1,3-Cyclohexanedicarboxylic acid

CAS Registry Number®

3971-31-1

CAS Name

1,3-Cyclohexanedicarboxylic acid

Molecular Formula

C8H12O4

Molecular Mass

172.18

Cite this Page

1,3-Cyclohexanedicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3971-31-1 (retrieved 2024-11-24) (CAS RN: 3971-31-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188 °C

Source(s)

Other Names and Identifiers

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)

InChIKey

InChIKey=XBZSBBLNHFMTEB-UHFFFAOYSA-N

SMILES

C(O)(=O)C1CC(C(O)=O)CCC1

Canonical SMILES

O=C(O)C1CCCC(C(=O)O)C1

Other Names for this Substance

  • 1,3-Cyclohexanedicarboxylic acid
  • Isophthalic acid, hexahydro-
  • 1,3-Benzenedicarboxylic acid, hexahydro-
  • 3-Carboxycyclohexanecarboxylic acid
  • Hexahydroisophthalic acid

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