KEMP'S TRIACID

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Molecular Formula:

C12H18O6

Molecular Weight:

258.27

CAS Number:

79410-20-1

Catalog Number:

79410-20-1

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

364ºC at 760 mmHg

Melting Point

241-243ºC(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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.11033829 g/mol

Monoisotopic Mass

258.11033829 g/mol

Topological Polar Surface Area

112Å²

Heavy Atom Count

Formal Charge

Complexity

337

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Concentration _(final)

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KEMP'S TRIACID

Product Information

Computed Properties

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