KEMP'S TRIACID

Product Information

Molecular Formula:
C12H18O6
Molecular Weight:
258.27
Description
Versatile molecule for molecular recognition studies. Also used to prepare a chiral auxiliary for asymmetric radical addition, allylation, and annulation reactions.
Synonyms
CIS,CIS-1,3,5-TRIMETHYLCYCLOHEXANE-1,3,5-TRICARBOXYLIC ACID; KEMP'S TRIACID; cis,cis-1,3,5-trime.cyclohexane-1,3,5-tricarboxylic acid; 1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylicacid(Kemp'striacid); Aluminum oxide, fused, #200+325 mesh, 99+% metals basis;
IUPAC Name
1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid
Canonical SMILES
CC1(CC(CC(C1)(C)C(=O)O)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)
InChI Key
AZWHPGZNOIYGFB-UHFFFAOYSA-N
Boiling Point
364°C at 760 mmHg
Melting Point
241-243°C(lit.)
Purity
95%
Density
1.301 g/cm3
Appearance
WHITE POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS

Computed Properties

XLogP3
0.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
258.11033829 g/mol
Monoisotopic Mass
258.11033829 g/mol
Topological Polar Surface Area
112Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
337
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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