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Home > Boronic Acids > 913836-11-0

913836-11-0

913836-11-0 | 5-Boronopicolinic acid

CAS No: 913836-11-0 Catalog No: AG006N8O MDL No:MFCD09027238

Product Description

Catalog Number:
AG006N8O
Chemical Name:
5-Boronopicolinic acid
CAS Number:
913836-11-0
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
MDL Number:
MFCD09027238
IUPAC Name:
5-boronopyridine-2-carboxylic acid
InChI:
InChI=1S/C6H6BNO4/c9-6(10)5-2-1-4(3-8-5)7(11)12/h1-3,11-12H,(H,9,10)
InChI Key:
UEKWXZLQKGKCEQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)C(=O)O)O

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
166.927g/mol
Monoisotopic Mass:
167.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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