Home Sulfos 3-(3-acetylbenzenesulfonamido)propanoic acid

3-(3-acetylbenzenesulfonamido)propanoic acid

CAS No.:
568554-51-8
Catalog Number:
AG019I3A
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
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Product Description
Catalog Number:
AG019I3A
Chemical Name:
3-(3-acetylbenzenesulfonamido)propanoic acid
CAS Number:
568554-51-8
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD03976172
IUPAC Name:
3-[(3-acetylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C11H13NO5S/c1-8(13)9-3-2-4-10(7-9)18(16,17)12-6-5-11(14)15/h2-4,7,12H,5-6H2,1H3,(H,14,15)
InChI Key:
JWGFXWQQUMSYIQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1cccc(c1)C(=O)C
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties