3-Ethoxy-5-formylphenylboronic acid

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Product Information

Molecular Formula
C9H11BO3
Molecular Weight
177.99
Description
3-Ethoxy-5-formylphenylboronic acid (CAS# 1072952-04-5) is a useful research chemical.
Synonyms
(3-ethoxy-5-formylphenyl)boronic acid
IUPAC Name
(3-ethoxy-5-formylphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)OCC)C=O)(O)O
InChI
InChI=1S/C9H11BO4/c1-2-14-9-4-7(6-11)3-8(5-9)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key
UGWAEFBQEMQRJD-UHFFFAOYSA-N
Melting Point
204-210 °C
Purity
95 %
Storage
2-8 °C
LogP
-0.42240

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
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
186
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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