cyclohexane-1,3-diol

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Molecular Formula:

C6H12O2

Molecular Weight:

116.16

CAS Number:

823-18-7

Catalog Number:

823-18-7

Product Information

Molecular Formula:

C6H12O2

Molecular Weight:

116.16

Description

Cyclohexane-1,3-diol is an imperative compound pervasive in the biomedical sector and serves as the fundamental substrate for pharmaceutical synthesis. Exhibiting exceptional versatility, this compound facilitates the emergence of medicinal interventions targeting a myriad of ailments, encompassing neoplastic afflictions, contagious maladies, and cardiovascular irregularities. Pertaining to its distinctive molecular attributes, this compound augments the indispensable formulation of pharmaceuticals, fostering advancements in the realm of therapeutic innovation.

Synonyms

cis-1,3-Dihydroxycyclohexane

IUPAC Name

(1S,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+

InChI Key

RLMGYIOTPQVQJR-OLQVQODUSA-N

Boiling Point

125°C/5mmHg(lit.)

Melting Point

81.0 to 85.0 °C

Purity

>98.0%(GC)

Density

0.9958 (rough estimate)

Appearance

White to Almost white powder to crystal

Refractive Index

1.4340 (estimate)

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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cyclohexane-1,3-diol

Product Information

Computed Properties

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