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

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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
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
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
262.1740248 g/mol
Monoisotopic Mass
262.1740248 g/mol
Topological Polar Surface Area
38.7Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
322
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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