1,3,5-Adamantanetriol

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Molecular Formula:

C10H16O3

Molecular Weight:

184.23

CAS Number:

99181-50-7

Catalog Number:

99181-50-7

Product Information

Molecular Formula:

C10H16O3

Molecular Weight:

184.23

Description

Applications: 1,3,5-Triacryloylhexahydro-1,3,5-triazine is a useful research chemical.

Synonyms

1,3,5-Adamantanetriol; 1,3,5-Trihydroxyadamantane

IUPAC Name

adamantane-1,3,5-triol

Canonical SMILES

C1C2CC3(CC1(CC(C2)(C3)O)O)O

InChI

InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2

InChI Key

MCYBYTIPMYLHAK-UHFFFAOYSA-N

Boiling Point

339.673ºC at 760 mmHg

Melting Point

203-207 °C

Purity

>95.0%(GC)

Density

1.606 g/cm3

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

-0.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

184.109944368 g/mol

Monoisotopic Mass

184.109944368 g/mol

Topological Polar Surface Area

60.7Å²

Heavy Atom Count

Formal Charge

Complexity

206

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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1,3,5-Adamantanetriol

Product Information

Computed Properties

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