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Home Boronic acids 4-(E-2-Carboxyvinyl)phenylboronic acid

4-(E-2-Carboxyvinyl)phenylboronic acid

CAS No.:
159896-15-8
Catalog Number:
AG001RHB
Molecular Formula:
C9H9BO4
Molecular Weight:
191.9764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$63
- +
1g
95%
In Stock USA
United States
$69
- +
5g
96%
In Stock USA
United States
$275
- +
25g
96%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG001RHB
Chemical Name:
4-(E-2-Carboxyvinyl)phenylboronic acid
CAS Number:
159896-15-8
Molecular Formula:
C9H9BO4
Molecular Weight:
191.9764
MDL Number:
MFCD01075704
IUPAC Name:
(E)-3-(4-boronophenyl)prop-2-enoic acid
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
SMILES:
OC(=O)/C=C/c1ccc(cc1)B(O)O
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
192.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
191.977g/mol
Monoisotopic Mass:
192.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors. Bioorganic & medicinal chemistry letters 20100601
Structure-based approach for binding site identification on AmpC beta-lactamase. Journal of medicinal chemistry 20020718
Properties