trans-1,3-Cyclohexanediol

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Molecular Formula:

C6H12O2

Molecular Weight:

116.16

CAS Number:

5515-64-0

Catalog Number:

5515-64-0

Product Information

Molecular Formula:

C6H12O2

Molecular Weight:

116.16

Description

trans-1,3-Cyclohexanediol is a vital compound extensively used in the biomedical industry. It plays a crucial role in the development of various drugs and treatments targeting diseases such as cancer, cardiovascular disorders, and neurological conditions. This compound's unique properties and versatile applications make it an indispensable component in biomedical research and pharmaceutical manufacturing processes.

Synonyms

trans-1,3-Dihydroxycyclohexane

IUPAC Name

(1R,3R)-cyclohexane-1,3-diol

Canonical SMILES

C1CC(CC(C1)O)O

InChI

InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2/t5-,6-/m1/s1

InChI Key

RLMGYIOTPQVQJR-PHDIDXHHSA-N

Boiling Point

135°C/13mmHg(lit.)

Melting Point

113.0 to 120.0 °C

Purity

>98.0%(GC)

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

0.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

116.083729621 g/mol

Monoisotopic Mass

116.083729621 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

64.9

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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trans-1,3-Cyclohexanediol

Product Information

Computed Properties

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