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Home Sulfos 3-[4-(morpholine-4-sulfonyl)phenyl]propanoic acid

3-[4-(morpholine-4-sulfonyl)phenyl]propanoic acid

CAS No.:
327106-18-3
Catalog Number:
AG019GKF
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
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Product Description
Catalog Number:
AG019GKF
Chemical Name:
3-[4-(morpholine-4-sulfonyl)phenyl]propanoic acid
CAS Number:
327106-18-3
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
MDL Number:
MFCD02708462
IUPAC Name:
3-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
InChI:
InChI=1S/C13H17NO5S/c15-13(16)6-3-11-1-4-12(5-2-11)20(17,18)14-7-9-19-10-8-14/h1-2,4-5H,3,6-10H2,(H,15,16)
InChI Key:
OQDIPZLKZONRKR-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.341g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
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