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153853-43-1

153853-43-1 | 3-propionamidophenylboronic acid

CAS No: 153853-43-1 Catalog No: AG00ABWJ MDL No:

Product Description

Catalog Number:
AG00ABWJ
Chemical Name:
3-propionamidophenylboronic acid
CAS Number:
153853-43-1
IUPAC Name:
[3-(propanoylamino)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12)
InChI Key:
OWHHCOKJBCMMOX-UHFFFAOYSA-N

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
193.009g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Anomalous binding profile of phenylboronic acid with N-acetylneuraminic acid (Neu5Ac) in aqueous solution with varying pH. Journal of the American Chemical Society 20030326

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