Home Other Building Blocks 2-[4-(dimethylsulfamoyl)phenyl]propanoic acid

2-[4-(dimethylsulfamoyl)phenyl]propanoic acid

CAS No.:
1304886-37-0
Catalog Number:
AG019YQZ
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG019YQZ
Chemical Name:
2-[4-(dimethylsulfamoyl)phenyl]propanoic acid
CAS Number:
1304886-37-0
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD16248969
IUPAC Name:
2-[4-(dimethylsulfamoyl)phenyl]propanoic acid
InChI:
InChI=1S/C11H15NO4S/c1-8(11(13)14)9-4-6-10(7-5-9)17(15,16)12(2)3/h4-8H,1-3H3,(H,13,14)
InChI Key:
GHLICBYZLCIWML-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S(=O)(=O)N(C)C)C(=O)O
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties