(E)-4-Methylstyrylboronic Acid

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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
162.0852098 g/mol
Monoisotopic Mass
162.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
149
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
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)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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