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Home > Boronic Acids > 4612-28-6
4612-28-6 | 1,3-Benzenediboronic Acid
CAS No: 4612-28-6 Catalog No: AG0037SG MDL No:MFCD03092915
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 |
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