Home Carboxys Cyclohexane-1,1-dicarboxylic acid

Cyclohexane-1,1-dicarboxylic acid

CAS No.:
1127-08-8
Catalog Number:
AG003P4H
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003P4H
Chemical Name:
Cyclohexane-1,1-dicarboxylic acid
CAS Number:
1127-08-8
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00094668
IUPAC Name:
cyclohexane-1,1-dicarboxylic acid
InChI:
InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)
InChI Key:
QYQADNCHXSEGJT-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCCC1)C(=O)O
Properties
Complexity:
187  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
An unusual double T5(2) water tape trapped in silver(I) coordination polymer hosts: influence of the solvent on the assembly of Ag(I)-4,4'-bipyridine chains with trans-cyclohexanedicarboxylate and their luminescent properties. Dalton transactions (Cambridge, England : 2003) 20121107
catena-Poly[[[cis-aquabis(4-carboxycyclohexane-1-carboxylato-kappa2O,O')cadmium(II)]-mu-4,4'-bipyridine-kappa2N:N] monohydrate]. Acta crystallographica. Section C, Crystal structure communications 20061201
Positional and geometrical anionic isomer separations by capillary electrophoresis-electrospray ionization-mass spectrometry. Electrophoresis 20050401
Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes. Chemical communications (Cambridge, England) 20040921
Rhodotorula cycloclastica sp. nov., Rhodotorula retinophila sp. nov., and Rhodotorula terpenoidalis sp. nov., three limonene-utilizing yeasts isolated from soil. FEMS yeast research 20040901
Conformation change of the cyclohexanedicarboxylate ligand toward 2D and 3D La(III)-organic coordination networks. Chemical communications (Cambridge, England) 20020421
Properties