CAS 619-82-9 | trans-1,4-Cyclohexanedicarboxylic acid | CAS Number 619-82-9

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619-82-9 | trans-1,4-Cyclohexanedicarboxylic acid

CAS No: 619-82-9 Catalog No: AG003UV9 MDL No:MFCD00066203

Product Description

Catalog Number:

AG003UV9

Chemical Name:

trans-1,4-Cyclohexanedicarboxylic acid

CAS Number:

619-82-9

Molecular Formula:

C8H12O4

Molecular Weight:

172.1785

MDL Number:

MFCD00066203

IUPAC Name:

cyclohexane-1,4-dicarboxylic acid

InChI:

InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)

InChI Key:

PXGZQGDTEZPERC-UHFFFAOYSA-N

SMILES:

OC(=O)[C@@H]1CC[C@H](CC1)C(=O)O

Properties

Complexity:

169

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.18g/mol

Monoisotopic Mass:

172.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Incorporation of spin-5/2 chain into 2D network with conformational pure e,a-cis-cyclohexane-1,4-dicarboxylato linker.	Dalton transactions (Cambridge, England : 2003) 20121021
Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature.	Acta crystallographica. Section B, Structural science 20110401
Bis(μ-cyclo-hexane-1,4-dicarboxyl-ato)bis-{aqua-[1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol]cadmium} monohydrate.	Acta crystallographica. Section E, Structure reports online 20110301
The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407.	The Journal of biological chemistry 20101112
Poly[[μ(2)-1,2-bis-(imidazol-1-ylmeth-yl)benzene](μ(2)-cyclo-hexane-1,4-dicarboxyl-ato)cobalt(II)].	Acta crystallographica. Section E, Structure reports online 20100301
Poly[tetra-kis(μ-cyclo-hexa-ne-1,4-di-carboxyl-ato)di-μ-hydroxido-penta-zinc(II)].	Acta crystallographica. Section E, Structure reports online 20100101
Poly[[μ(2)-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(μ(4)-cyclo-hexane-1,4-dicarboxyl-ato)dicobalt(II)].	Acta crystallographica. Section E, Structure reports online 20091001
Poly[diaqua[mu-1,4-bis(imidazol-1-ylmethyl)benzene-kappa2N3:N3'](mu-trans-cyclohexane-1,4-carboxylato-kappa2O1:O4)manganese(II)]: a three-dimensional hydrogen-bonding alpha-polonium net.	Acta crystallographica. Section C, Crystal structure communications 20090801
Poly[[μ-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(μ(4)-cyclo-hexane-1,4-dicarboxyl-ato)dinickel(II)].	Acta crystallographica. Section E, Structure reports online 20090801
catena-Poly[[bis-(4-carboxy-cyclo-hexane-carboxyl-ato-κO,O)cadmium(II)]-μ-1,4-bis-(imidazol-1-ylmeth-yl)benzene-κN:N].	Acta crystallographica. Section E, Structure reports online 20090701
cis-Cyclo-hexane-1,4-dicarboxylic acid.	Acta crystallographica. Section E, Structure reports online 20090601
Poly[[[μ-1,1'-(butane-1,4-di-yl)diimidazole-κN:N](μ-cyclo-hexane-1,4-dicarboxyl-ato-κO,O:O,O)nickel(II)] 0.25-hydrate].	Acta crystallographica. Section E, Structure reports online 20090301
Poly[[[mu-1,1'-(butane-1,4-diyl)diimidazole-kappa2N:N'](mu-cyclohexane-1,4-dicarboxylato-kappa4O1,O1':O4,O4')cadmium(II)] hemihydrate]: a parallel interpenetrating two-dimensional (4,4) network.	Acta crystallographica. Section C, Crystal structure communications 20090201
Poly[di-μ-cis-cyclo-hexane-1,4-dicarboxyl-ato-μ-trans-cyclo-hexane-1,4-dicarboxyl-ato-bis-[dipyrido[3,2-a:2',3'-c]phenazine]trimanganese(II)].	Acta crystallographica. Section E, Structure reports online 20080601
Metal-organic frameworks from copper dimers with cis- and trans-1,4-cyclohexanedicarboxylate and cis,cis-1,3,5-cyclohexanetricarboxylate.	Inorganic chemistry 20070723
Lamellar and three-dimensional hybrid compounds formed by cyclohexene- and cyclohexanedicarboxylates of Pb, La, and Cd.	Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
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
Metal-organic frameworks from homometallic chains of nickel(II) and 1,4-cyclohexanedicarboxylate connectors: ferrimagnet-ferromagnet transformation.	Inorganic chemistry 20060220
Isomer separation, conformation control of flexible cyclohexanedicarboxylate ligand in cadmium complexes.	Chemical communications (Cambridge, England) 20040921
Reversible guest exchange and ferrimagnetism (T(C) = 60.5 K) in a porous cobalt(II)-hydroxide layer structure pillared with trans-1,4-cyclohexanedicarboxylate.	Inorganic chemistry 20031020
The simplest supramolecular complexes containing pairs of Mo(2)(formamidinate)(3) units linked with various dicarboxylates: preparative methods, structures, and electrochemistry.	Inorganic chemistry 20010312
Degradation and drug delivery properties of poly(1,4-cyclohexanedicarboxylic anhydride).	Journal of biomaterials science. Polymer edition 20010101