4-(trans-2-Carboxyvinyl)phenylboronic acid

Product Information

Molecular Formula:
C9H9BO4
Molecular Weight:
191.98
Description
Reactant for:• Preparation of nickel thiocyanate pyridylphenylpropenate polymeric complex
Synonyms
4-(E-2-Carboxyvinyl)phenylboronic acid
IUPAC Name
(E)-3-(4-boronophenyl)prop-2-enoic acid
Canonical SMILES
B(C1=CC=C(C=C1)C=CC(=O)O)(O)O
InChI
InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
InChI Key
IEMLKNHGGSYOMP-ZZXKWVIFSA-N
Melting Point
187-193 °C
Flash Point
Not applicable
Storage
2-8°C

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
192.0593889 g/mol
Monoisotopic Mass
192.0593889 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
219
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

Patents

Publication Number Title Priority Date
CN-113292671-A Polymer crosslinking agent containing phenylboronic acid group, biological adhesive prepared from polymer crosslinking agent, and preparation method and application of biological adhesive 2021-07-08
WO-2022031774-A2 Therapeutic cure-pro compounds for targeted degradation of bet domain proteins, and methods of making and using them 2020-08-07
WO-2022031777-A2 Therapeutically useful cure-pro molecules for e3 ligase mediated degradation of proteins, and methods of making and using them 2020-08-07
CN-111490238-A Phenyl organic acid compound modified graphite anode material and preparation method thereof 2020-04-14
CN-110105020-B Fair-faced concrete and preparation method thereof 2019-05-28
CA-3074865-A1 Methods of detection using x-ray fluorescence 2017-09-14
WO-2019055754-A1 DETECTION METHODS USING X FLUORESCENCE 2017-09-14
EP-3681504-A1 Methods of detection using x-ray fluorescence 2017-09-14
US-2020278346-A1 Methods of detection using x-ray fluorescence 2017-09-14
CA-3054300-A1 Curable and solvent soluble formulations and methods of making and using thereof 2017-02-22

Literatures

PMID Publication Date Title Journal
20452208 2010-06-01 Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors Bioorganic & medicinal chemistry letters
12109906 2002-07-18 Structure-based approach for binding site identification on AmpC beta-lactamase Journal of medicinal chemistry
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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