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Home Boronic acids 1,3-Benzenediboronic acid

1,3-Benzenediboronic acid

CAS No.:
4612-28-6
Catalog Number:
AG0037SG
Molecular Formula:
C6H8B2O4
Molecular Weight:
165.7473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$44
- +
1g
97%
In Stock USA
United States
$54
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$437
- +
25g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0037SG
Chemical Name:
1,3-Benzenediboronic acid
CAS Number:
4612-28-6
Molecular Formula:
C6H8B2O4
Molecular Weight:
165.7473
MDL Number:
MFCD03092915
IUPAC Name:
(3-boronophenyl)boronic acid
InChI:
InChI=1S/C6H8B2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-12H
InChI Key:
UXPAASVRXBULRG-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)B(O)O)O
NSC Number:
25409
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
165.746g/mol
Monoisotopic Mass:
166.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
A guest-induced assembly of a molecular box from methylcobaloxime and 1, 4-phenylenebisboronic acid. Inorganic chemistry 20030127
Properties