4-Cyanomethoxyphenylboronic acid

Product Information

Molecular Formula:
C8H8BNO3
Molecular Weight:
176.97
Description
As a boron-containing drug, 4-Cyanomethoxyphenylboronic acid shows great potential in fighting various malignant tumors.
Synonyms
[4-(Cyanomethoxy)phenyl]boronic acid; 4-Cyanomethoxyphenylboronic acid; 4-(cyanomethoxy)phenylboronic acid; (4-(Cyanomethoxy)phenyl)boronicacid
IUPAC Name
[4-(cyanomethoxy)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OCC#N)(O)O
InChI
InChI=1S/C8H8BNO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,6H2
InChI Key
GKJPNYHKHSLHCC-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
177.0597233 g/mol
Monoisotopic Mass
177.0597233 g/mol
Topological Polar Surface Area
73.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
193
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

Patents

Publication Number Title Priority Date
US-2021251982-A1 Methods for treating neurological symptoms associated with lysosomal storage diseases 2020-02-03
TW-202132298-A Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use 2019-11-25
WO-2020163337-A1 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (gcs) 2019-02-04
TW-202045167-A Methods for treating symptoms and disorders associated with lysosomal storage diseases 2019-02-04
TW-202045168-A Methods for treating symptoms and disorders associated with lysosomal storage diseases 2019-02-04
AU-2020218185-A1 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) 2019-02-04
CA-3128039-A1 Methods for treating symptoms and disorders associated with lysosomal storage diseases 2019-02-04
CA-3128041-A1 Methods for treating symptoms and disorders associated with lysosomal storage diseases 2019-02-04
CA-3128043-A1 Treatment of ciliopathies using inhibitors of glucosylceramide synthase (gcs) 2019-02-04
IL-285187-D0 Methods of treating symptoms and disorders associated with lysosomal storage diseases 2019-02-04
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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