Allenylboronic acid pinacol ester

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Molecular Formula:

C9H15BO2

Molecular Weight:

166.03

CAS Number:

865350-17-0

Catalog Number:

865350-17-0

Product Information

Molecular Formula:

C9H15BO2

Molecular Weight:

166.03

Description

Allenylboronic acid pinacol ester (CAS# 865350-17-0) is a useful research chemical.

Synonyms

4,4,5,5-tetramethyl-2-propa-1,2-dienyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=C=C

InChI

InChI=1S/C9H15BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h7H,1H2,2-5H3

InChI Key

CJAOMXUZZONOSD-UHFFFAOYSA-N

Boiling Point

81 °C / 18.6 mmHg

Flash Point

150.1 °F - closed cup

Purity

95 %

Density

0.94 g/cm³

Appearance

Colorless to pale yellow clear liquid

Storage

2-8 °C

Refractive Index

n20/D 1.459

LogP

1.95890

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

166.1165099 g/mol

Monoisotopic Mass

166.1165099 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

211

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

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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Allenylboronic acid pinacol ester

Product Information

Computed Properties

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