TRANS-3-PHENYL-1-PROPEN-1-YLBORONIC ACID

Inquiry

Molecular Formula:

C9H11BO2

Molecular Weight:

161.99344

CAS Number:

129423-29-6

Catalog Number:

129423-29-6

Product Information

Molecular Formula:

C9H11BO2

Molecular Weight:

161.99344

Description

Reactant involved in: • Carbonylative arylation of allenols• Oxidative cross-coupling with (trifluoromethyl)trimethylsilane• Suzuki-Miyaura coupling reactions• three-component reductive coupling with alkynes• Enantioselective conjugation to vinyl 2-pyridylsulfones

Synonyms

TRANS-3-PHENYL-1-PROPEN-1-YLBORONIC ACID

IUPAC Name

[(E)-3-phenylprop-1-enyl]boronic acid

Canonical SMILES

B(C=CCC1=CC=CC=C1)(O)O

InChI

InChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+

InChI Key

GMGWFDHLFMBIDS-XBXARRHUSA-N

Boiling Point

329.152°C at 760 mmHg

Flash Point

Not applicable

Purity

95%

Density

1.085g/cm3

Appearance

White to off-white powder or crystals

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

140

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)

Mass

Concentration

Volume

Molecular Weight *

Calculate

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)

Calculate

TRANS-3-PHENYL-1-PROPEN-1-YLBORONIC ACID

Product Information

Computed Properties

Related Products