3-Formyl-2-methoxy-5-methylphenylboronic acid

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Product Information

Molecular Formula
C9H11BO4
Molecular Weight
193.99
Description
3-Formyl-2-methoxy-5-methylphenylboronic acid (CAS# 480424-55-3) is a useful research chemical.
Synonyms
(3-formyl-2-methoxy-5-methylphenyl)boronic acid
IUPAC Name
(3-formyl-2-methoxy-5-methylphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1OC)C=O)C)(O)O
InChI
InChI=1S/C9H11BO4/c1-6-3-7(5-11)9(14-2)8(4-6)10(12)13/h3-5,12-13H,1-2H3
InChI Key
WDUHXJSEZPXEFU-UHFFFAOYSA-N
Boiling Point
424.1 °C at 760 mmHg
Melting Point
117-122 °C
Purity
98 %
Density
1.22 g/cm3
Appearance
White to tan crystalline powder
LogP
-0.50410

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
194.0750390 g/mol
Monoisotopic Mass
194.0750390 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
197
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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