Name: Name:1,3-Cyclohexanedicarboxylic acid
Brand: AABLOCKS
SKU: AA003DFM
Rating: 90 (10 reviews)

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

BP: 332.4°C at 760 mmHg

Form: Solid

MP: 132-141 °C(lit.)

Storage: Room Temperature;

Complexity: 179

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 12

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 2

Undefined Bond Stereocenter Count: 0

XLogP3: 0.7

Literature fold

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 Society20120912

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

Journal: Organic & biomolecular chemistry20120821

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

Journal: Archiv der Pharmazie20120601

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

Journal: Transfusion medicine reviews20120101

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 epidemiology20120101

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 online20091001

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 online20091001

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

Journal: Carbohydrate research20090217

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 chemistry20081201

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

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