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3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester

3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester

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Molecular Formula:

C15H23O3B

Molecular Weight:

262.15

CAS Number:

1309980-11-7

Catalog Number:

1309980-11-7

Product Information

Molecular Formula:

C15H23O3B

Molecular Weight:

262.15

Description

3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester (CAS# 1309980-11-7) is a useful research chemical.

Synonyms

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-propanol; 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

IUPAC Name

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol

Canonical SMILES

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

InChI

InChI=1S/C15H23BO3/c1-13(2,17)11-8-7-9-12(10-11)16-18-14(3,4)15(5,6)19-16/h7-10,17H,1-6H3

InChI Key

NNPQWBXXZHNLAW-UHFFFAOYSA-N

Melting Point

64-69 °C

Flash Point

Not applicable

Purity

97 %

LogP

2.21320

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1740248 g/mol

Monoisotopic Mass

262.1740248 g/mol

Topological Polar Surface Area

38.7Å²

Heavy Atom Count

Formal Charge

Complexity

322

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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3-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol Ester

Product Information

Computed Properties

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