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3971-31-1,MFCD00134411
Catalog No.:AA003DFM

3971-31-1 | 1,3-Cyclohexanedicarboxylic acid

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1g
97%
in stock  
$12.00   $8.00
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5g
97%
in stock  
$14.00   $10.00
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25g
95%
in stock  
$31.00   $22.00
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100g
95%
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$101.00   $71.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003DFM
Chemical Name:
1,3-Cyclohexanedicarboxylic acid
CAS Number:
3971-31-1
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00134411
SMILES:
OC(=O)C1CCCC(C1)C(=O)O
Properties
Properties
 
BP:
332.4°C at 760 mmHg  
Form:
Solid  
MP:
132-141 °C(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
179  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
0.7  

Literature

Title: Conformational preferences of trans-1,2- and cis-1,3-cyclohexanedicarboxylic acids in water and dimethyl sulfoxide as a function of the ionization state as determined from NMR spectroscopy and density functional theory quantum mechanical calculations.

Journal: Journal of the American Chemical Society 20120912

Title: Simple and efficient methods for discrimination of chiral diacids and chiral alpha-methyl amines.

Journal: Organic & biomolecular chemistry 20120821

Title: Reactions of N(3) -substituted amidrazones with cis-1,2-cyclohexanedicarboxylic anhydride and biological activities of the products.

Journal: Archiv der Pharmazie 20120601

Title: Progress in the removal of di-[2-ethylhexyl]-phthalate as plasticizer in blood bags.

Journal: Transfusion medicine reviews 20120101

Title: Identification of potential biomarkers of exposure to di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), an alternative for phthalate plasticizers.

Journal: Journal of exposure science & environmental epidemiology 20120101

Title: Design and synthesis of a novel three-hindered quadrant bisphosphine ligand and its application in asymmetric hydrogenation.

Journal: Chemical communications (Cambridge, England) 20101207

Title: Bis(μ-cyclo-hexane-1,3-dicarboxyl-ato)-κO:O,O;κO,O:O-bis-[aqua-(1,10-phenanthroline-κN,N')zinc(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Poly[(μ(2)-4,4'-bipyridine-κN:N')bis-(μ(4)-cyclo-hexane-1,3-dicarboxyl-ato-κO:O':O'':O''')dizinc(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Novel easily accessible glucosidase inhibitors: 4-hydroxy-5-alkoxy-1,2-cyclohexanedicarboxylic acids.

Journal: Carbohydrate research 20090217

Title: Probing single-chain magnets in a family of linear chain compounds constructed by magnetically anisotropic metal-ions and cyclohexane-1,2-dicarboxylate analogues.

Journal: Inorganic chemistry 20081201

Title: Comparison of chiral and racemic forms of zinc cyclohexane trans-1,2-dicarboxylate frameworks: a structural, computational, and calorimetric study.

Journal: Angewandte Chemie (International ed. in English) 20080101

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SDS
Tags:3971-31-1 Molecular Formula|3971-31-1 MDL|3971-31-1 SMILES|3971-31-1 1,3-Cyclohexanedicarboxylic acid