Home Carboxys 1,3-Cyclohexanedicarboxylic acid

1,3-Cyclohexanedicarboxylic acid

CAS No.:
3971-31-1
Catalog Number:
AG003DIE
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$22
- +
25g
97%
In Stock USA
United States
$69
- +
100g
97%
In Stock USA
United States
$225
- +
500g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003DIE
Chemical Name:
1,3-Cyclohexanedicarboxylic acid
CAS Number:
3971-31-1
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00134411
IUPAC Name:
cyclohexane-1,3-dicarboxylic acid
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:
XBZSBBLNHFMTEB-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC(C1)C(=O)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
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 of the American Chemical Society 20120912
Simple and efficient methods for discrimination of chiral diacids and chiral alpha-methyl amines. Organic & biomolecular chemistry 20120821
Reactions of N(3) -substituted amidrazones with cis-1,2-cyclohexanedicarboxylic anhydride and biological activities of the products. Archiv der Pharmazie 20120601
Progress in the removal of di-[2-ethylhexyl]-phthalate as plasticizer in blood bags. Transfusion medicine reviews 20120101
Identification of potential biomarkers of exposure to di(isononyl)cyclohexane-1,2-dicarboxylate (DINCH), an alternative for phthalate plasticizers. Journal of exposure science & environmental epidemiology 20120101
Design and synthesis of a novel three-hindered quadrant bisphosphine ligand and its application in asymmetric hydrogenation. Chemical communications (Cambridge, England) 20101207
Bis(μ-cyclo-hexane-1,3-dicarboxyl-ato)-κO:O,O;κO,O:O-bis-[aqua-(1,10-phenanthroline-κN,N')zinc(II)]. Acta crystallographica. Section E, Structure reports online 20091001
Poly[(μ(2)-4,4'-bipyridine-κN:N')bis-(μ(4)-cyclo-hexane-1,3-dicarboxyl-ato-κO:O':O'':O''')dizinc(II)]. Acta crystallographica. Section E, Structure reports online 20091001
Novel easily accessible glucosidase inhibitors: 4-hydroxy-5-alkoxy-1,2-cyclohexanedicarboxylic acids. Carbohydrate research 20090217
Probing single-chain magnets in a family of linear chain compounds constructed by magnetically anisotropic metal-ions and cyclohexane-1,2-dicarboxylate analogues. Inorganic chemistry 20081201
Comparison of chiral and racemic forms of zinc cyclohexane trans-1,2-dicarboxylate frameworks: a structural, computational, and calorimetric study. Angewandte Chemie (International ed. in English) 20080101
Properties