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Home > Product > Material & Chemicals > Polymer/Macromolecule > 1,3-Cyclohexanedicarboxylic acid

1,3-Cyclohexanedicarboxylic acid | CAS Number: 3971-31-1

Catalog Number
ACM3971311
Product Name
1,3-Cyclohexanedicarboxylic acid
Structure
CAS Number
3971-31-1
Synonyms
1,3-CYCLOHEXANEDICARBOXYLIC ACID;1,3-cyclohexanedicarboxylicacid,mixtureof;1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans;1,3-CYCLOHEXANEDICARBOXYLIC ACID, 98%, M IXTURE OF CIS AND TRANS;CYCLOHEXANE-1,3-DICARBOXYLIC ACID;1,3-cyclohexanedicarbox
Molecular Weight
172.18
Molecular Formula
C8H12O4
Purity
98%
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1Conformational preferences of cis-1,3-cyclopentanedicarboxylic acid and its salts by 1H NMR spectroscopy: energetics of intramolecular hydrogen bonds in DMSO.

Emenike BU1, Carroll WR, Roberts JD.

J Org Chem. 2013 Mar 1;78(5):2005-11. doi: 10.1021/jo302049z. Epub 2013 Jan 14.

The conformational populations of cis-1,3-cyclopentanedicarboxylic acid (1) and its mono- and dianion were established in DMSO solution by comparing the vicinal proton–proton coupling constants (3J(HH)) obtained in solution to their theoretical counterparts. Geometries used for 3J(HH) theoretical estimation (using Karplus-type equations) were obtained from optimized structures at the B3LYP/6-31G(2d,2p) level. Read More

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