(E)-4-Methylstyrylboronic Acid

Inquiry

Molecular Formula:

C9H11O2B

Molecular Weight:

161.99

CAS Number:

72316-17-7

Catalog Number:

72316-17-7

Product Information

Molecular Formula:

C9H11O2B

Molecular Weight:

161.99

Description

(E)-4-Methylstyrylboronic Acid (CAS# 72316-17-7) is a useful research chemical compound.

Synonyms

[(E)-2-(4-methylphenyl)ethenyl]boronic acid; [(E)-2-(4-methylphenyl)ethenyl]boronic acid

IUPAC Name

[(E)-2-(4-methylphenyl)ethenyl]boronic acid

Canonical SMILES

B(C=CC1=CC=C(C=C1)C)(O)O

InChI

InChI=1S/C9H11BO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+

InChI Key

JJOBVKVXRDHVRP-VOTSOKGWSA-N

Boiling Point

330.9 °C at 760 mmHg

Melting Point

169-175 °C (lit.)

Flash Point

Not applicable

Purity

97 %

Density

1.1 g/cm³

Appearance

White to beige crystalline powder

LogP

1.02020

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

162.0852098 g/mol

Monoisotopic Mass

162.0852098 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

149

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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(E)-4-Methylstyrylboronic Acid

Product Information

Computed Properties

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