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TRANS-3-CYCLOPENTYLPROPEN-1-YLBORONIC ACID, PINACOL ESTER 95%

TRANS-3-CYCLOPENTYLPROPEN-1-YLBORONIC ACID, PINACOL ESTER 95%

Inquiry

Molecular Formula:

C14H25BO2

Molecular Weight:

236.2

CAS Number:

1073354-57-0

Catalog Number:

1073354-57-0

Product Information

Molecular Formula:

C14H25BO2

Molecular Weight:

236.2

Description

TRANS-3-CYCLOPENTYLPROPEN-1-YLBORONIC ACID, PINACOL ESTER 95% is a high-purity pinacol ester of TRANS-3-CYCLOPENTYLPROPEN-1-YLBORONIC ACID that is widely utilized in the biomedical industry for drug discovery and development. This compound serves as a valuable tool in the synthesis of potential therapeutic agents for the treatment of various diseases, including cancer and inflammation.

Synonyms

2-[(1E)-3-Cyclopentyl-1-propen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,trans-2-(3-Cyclopentylpropen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-[(E)-3-cyclopentylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CCC2CCCC2

InChI

InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-7-10-12-8-5-6-9-12/h7,11-12H,5-6,8-10H2,1-4H3/b11-7+

InChI Key

GXNIAKZVBGUMHU-YRNVUSSQSA-N

Boiling Point

90-93 °C/0.4 mmHg

Flash Point

>230 °F

Purity

95%

Density

0.927 g/mL at 25 °C

Refractive Index

n20/D 1.456

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

236.1947602 g/mol

Monoisotopic Mass

236.1947602 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

275

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-3-CYCLOPENTYLPROPEN-1-YLBORONIC ACID, PINACOL ESTER 95%

Product Information

Computed Properties

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