3-Formyl-5-methyl-2-propoxyphenylboronic acid

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Product Information

Molecular Formula
C11H15BO4
Molecular Weight
222.05
Description
3-Formyl-5-methyl-2-propoxyphenylboronic acid (CAS# 480424-53-1) is a useful research chemical.
Synonyms
(3-formyl-5-methyl-2-propoxyphenyl)boronic acid
IUPAC Name
(3-formyl-5-methyl-2-propoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1OCCC)C=O)C)(O)O
InChI
InChI=1S/C11H15BO4/c1-3-4-16-11-9(7-13)5-8(2)6-10(11)12(14)15/h5-7,14-15H,3-4H2,1-2H3
InChI Key
VLCOLNKROICTJC-UHFFFAOYSA-N
Boiling Point
436.1 °C at 760 mmHg
Melting Point
110-114 °C
Purity
97 %
Density
1.15 g/cm3
Appearance
White to tan powder, crystals or crystalline powder and/or chunks
LogP
0.27610

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
222.1063391 g/mol
Monoisotopic Mass
222.1063391 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
222
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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