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Home Boronic acids 3-Carboxyphenylboronic acid

3-Carboxyphenylboronic acid

CAS No.:
25487-66-5
Catalog Number:
AG003J5Y
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$38
- +
100g
97%
In Stock USA
United States
$119
- +
500g
97%
In Stock USA
United States
$469
- +
Product Description
Catalog Number:
AG003J5Y
Chemical Name:
3-Carboxyphenylboronic acid
CAS Number:
25487-66-5
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
MDL Number:
MFCD00036833
IUPAC Name:
3-boronobenzoic acid
InChI:
InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key:
DBVFWZMQJQMJCB-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C(=O)O)O
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
165.939g/mol
Monoisotopic Mass:
166.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Expanding the diversity of allosteric bcr-abl inhibitors. Journal of medicinal chemistry 20101014
Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity. Bioorganic & medicinal chemistry letters 20091115
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. Journal of medicinal chemistry 20091008
Properties