(Z)-3-Hexenyl-3-boronic acid catechol ester

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Molecular Formula:

C12H15BO2

Molecular Weight:

202.06

CAS Number:

37490-28-1

Catalog Number:

37490-28-1

Product Information

Molecular Formula:

C12H15BO2

Molecular Weight:

202.06

Description

(Z)-3-Hexenyl-3-boronic acid catechol ester is a pharmaceutical intermediate used in the development and synthesis of various drugs. It facilitates the development of boron-containing organic compounds relevant to certain therapeutic applications.

Synonyms

2-(cis-1-Ethyl-1-butenyl)benzo[1,3,2]dioxaborole, 2-[cis-1-Ethyl-1-butenyl]-1,3,2-benzodioxaborole

IUPAC Name

2-[(Z)-hex-3-en-3-yl]-1,3,2-benzodioxaborole

Canonical SMILES

B1(OC2=CC=CC=C2O1)C(=CCC)CC

InChI

InChI=1S/C12H15BO2/c1-3-7-10(4-2)13-14-11-8-5-6-9-12(11)15-13/h5-9H,3-4H2,1-2H3/b10-7+

InChI Key

UESZEZBDXVOEDP-JXMROGBWSA-N

Boiling Point

249-250 °C (lit.)

Flash Point

219.2 °F

Purity

97%

Density

1.014 g/mL at 25 °C (lit.)

Refractive Index

n20/D 1.5250 (lit.)

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

202.1165099 g/mol

Monoisotopic Mass

202.1165099 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

226

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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(Z)-3-Hexenyl-3-boronic acid catechol ester

Product Information

Computed Properties

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