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3-Methoxy-1-propyn-1-ylboronic acid, pinacol ester

3-Methoxy-1-propyn-1-ylboronic acid, pinacol ester

Inquiry

Molecular Formula:

C10H17BO3

Molecular Weight:

196.1

CAS Number:

634196-63-7

Catalog Number:

634196-63-7

Product Information

Molecular Formula:

C10H17BO3

Molecular Weight:

196.1

Description

Alkynylboronates participate in a variety of regio- and stereoselective carbon-carbon bond forming processes including enyne cross-metathesis and the Alder ene reaction.

Synonyms

2-(3-Methoxy-1-propyn-1-yl)-4,4,5,5-tetramethyl-(1,3,2)dioxaborolane

IUPAC Name

2-(3-methoxyprop-1-ynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C#CCOC

InChI

InChI=1S/C10H17BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h8H2,1-5H3

InChI Key

BJDZPOHVHLSGDP-UHFFFAOYSA-N

Flash Point

338 °F

Purity

95%

Density

0.982 g/mL at 25 °C

Storage

2-8°C

Refractive Index

n20/D 1.45

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.1270746 g/mol

Monoisotopic Mass

196.1270746 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

256

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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3-Methoxy-1-propyn-1-ylboronic acid, pinacol ester

Product Information

Computed Properties

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