cis,cis-Cyclohexane-1,3,5-tricarboxylic Acid
Product Information
Molecular Formula
C9H12O6
Molecular Weight
216.19
Description
cis,cis-Cyclohexane-1,3,5-tricarboxylic Acid (CAS# 16526-68-4 ) is a useful research chemical.
Synonyms
cyclohexane-1,3,5-tricarboxylic acid; cyclohexane-1,3,5-tricarboxylic acid
IUPAC Name
cyclohexane-1,3,5-tricarboxylic acid
SMILES
C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChI Key
FTHDNRBKSLBLDA-UHFFFAOYSA-N
Boiling Point
372.4 °C at 760 mmHg
Melting Point
211-215 °C (lit.)
Flash Point
Not applicable
Density
1.509 g/cm3
LogP
0.27270
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
-0.3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
216.06338810 g/mol
Monoisotopic Mass
216.06338810 g/mol
Topological Polar Surface Area
112Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
237
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114158567-A | Iodine-containing disinfectant containing hydroxyl-containing polyol ether and preparation method and application thereof | 2021-11-25 |
| CN-114027309-A | Iodine-containing disinfectant containing polyvinylpyrrolidone and polyol ether and preparation method thereof | 2021-11-12 |
| JP-2022009148-A | Laminated tube | 2021-10-14 |
| CN-113277510-A | Synthetic method for preparing porous carbon material by using small molecules | 2021-05-31 |
| JP-6999989-B1 | A method for measuring the concentration of cellulose nanofibers in a semipermeable membrane, a measuring device, and a method for manufacturing a semipermeable composite membrane. | 2021-05-11 |
| CN-112755050-A | Alcohol-free iodine-containing disinfectant with high component stability and preparation method thereof | 2020-12-31 |
| CN-112806387-A | Preparation method of iodine-containing disinfectant with stable component content | 2020-12-31 |
| CN-112841181-A | Stable iodine-containing disinfectant and preparation method thereof | 2020-12-31 |
| CN-112806387-B | Preparation method of iodine-containing disinfectant with stable component content | 2020-12-31 |
| CN-112640913-A | Iodine-containing disinfectant with long-term component stability and preparation method thereof | 2020-12-30 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21731438 | 2011-01-01 | One-dimensional hydrogen-bonded infinite chain from nickel(II) tetraaza macrocyclic complex and 1,2-cyclopentanedicarboxylate ligand | International journal of molecular sciences |
| 17602470 | 2007-07-23 | Metal-organic frameworks from copper dimers with cis- and trans-1,4-cyclohexanedicarboxylate and cis,cis-1,3,5-cyclohexanetricarboxylate | Inorganic chemistry |
| 17136246 | 2006-12-21 | Polymorphs of 1,1-bis(4-hydroxyphenyl)cyclohexane and multiple Z' crystal structures by melt and sublimation crystallization | Chemical communications (Cambridge, England) |
| 17136256 | 2006-12-21 | An unusually high thermal stability within a novel lanthanide 1,3,5-cyclohexanetricarboxylate framework: synthesis, structure, and thermal data | Chemical communications (Cambridge, England) |
| 15235759 | 2004-09-01 | Identification and quantification of cotton-bound, cyclic polycarboxylic acids by means of isocratic HPLC | Analytical and bioanalytical chemistry |
| 11763465 | 2001-11-19 | Comparative supramolecular chemistry of coronene, hexahelicene, and [18]crown-6: hydrated and solvated molecular complexes of [18]crown-6 with 5-hydroxyisophthalic acid and related di- and tricarboxylic acids | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 11430051 | 2001-01-25 | Selective binding of cis-1,3,5-cyclohexane tricarboxylic acid vs its epimeric trans isomer by a tripodal amidopyridine receptor; crystal structures of the 1:1 complexes | Organic letters |
