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Home > Boronic Acids > 1012085-48-1
1012085-48-1 | Boronic acid, B,B'-3,5-pyridinediylbis-
CAS No: 1012085-48-1 Catalog No: AG0003YR MDL No:MFCD06253455
Product Description
Catalog Number:
AG0003YR
Chemical Name:
Boronic acid, B,B'-3,5-pyridinediylbis-
CAS Number:
1012085-48-1
Molecular Formula:
C5H7B2NO4
Molecular Weight:
166.7354
MDL Number:
MFCD06253455
IUPAC Name:
(5-boronopyridin-3-yl)boronic acid
InChI:
InChI=1S/C5H7B2NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,9-12H
InChI Key:
NZUCYVVWSUZTQZ-UHFFFAOYSA-N
SMILES:
OB(c1cncc(c1)B(O)O)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
166.734g/mol
Monoisotopic Mass:
167.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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