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trans-2-(3,5-Dimethoxyphenyl)vinylboronic acid pinacol ester

trans-2-(3,5-Dimethoxyphenyl)vinylboronic acid pinacol ester

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Molecular Formula:

C16H23BO4

Molecular Weight:

290.2

CAS Number:

1073354-86-5

Catalog Number:

1073354-86-5

Product Information

Molecular Formula:

C16H23BO4

Molecular Weight:

290.2

Description

trans-2-(3,5-Dimethoxyphenyl)vinylboronic acid pinacol ester is a formidable biomedical compound that showcases prodigious promise within the domain of biomedicine and pharmaceutical research. Its intricate molecular structure endows it with unparalleled potential as a potent inhibitor or modulator, effectively impeding the progression of multifarious ailments including cancer, inflammation, and neurological disorders.

Synonyms

2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1073354-86-5; E-2-(3,5-Dimethoxyphenyl)vinylboronicacidpinacolester; (E)-2-(3,5-Dimethoxystyryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; trans-2-(3,5-Dimethoxyphenyl)vinylboronicacidpinacolester; 676160_ALDRICH

IUPAC Name

2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)8-7-12-9-13(18-5)11-14(10-12)19-6/h7-11H,1-6H3/b8-7+

InChI Key

NTOQJUAKAYKAPE-BQYQJAHWSA-N

Melting Point

56-62 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

290.1689394 g/mol

Monoisotopic Mass

290.1689394 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

353

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

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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trans-2-(3,5-Dimethoxyphenyl)vinylboronic acid pinacol ester

Product Information

Computed Properties

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