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Home Sulfos 1-(3-acetylbenzenesulfonyl)piperidine-4-carboxylic acid

1-(3-acetylbenzenesulfonyl)piperidine-4-carboxylic acid

CAS No.:
790270-87-0
Catalog Number:
AG019JRN
Molecular Formula:
C14H17NO5S
Molecular Weight:
311.3535
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Product Description
Catalog Number:
AG019JRN
Chemical Name:
1-(3-acetylbenzenesulfonyl)piperidine-4-carboxylic acid
CAS Number:
790270-87-0
Molecular Formula:
C14H17NO5S
Molecular Weight:
311.3535
MDL Number:
MFCD06357843
IUPAC Name:
1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C14H17NO5S/c1-10(16)12-3-2-4-13(9-12)21(19,20)15-7-5-11(6-8-15)14(17)18/h2-4,9,11H,5-8H2,1H3,(H,17,18)
InChI Key:
KLMOKXABTXOXNC-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)C
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.083g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.352g/mol
Monoisotopic Mass:
311.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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