Home Sulfos 2-(2,4,6-trimethylbenzenesulfonamido)acetic acid

2-(2,4,6-trimethylbenzenesulfonamido)acetic acid

CAS No.:
313252-46-9
Catalog Number:
AG019IIP
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG019IIP
Chemical Name:
2-(2,4,6-trimethylbenzenesulfonamido)acetic acid
CAS Number:
313252-46-9
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD00540009
IUPAC Name:
2-[(2,4,6-trimethylphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C11H15NO4S/c1-7-4-8(2)11(9(3)5-7)17(15,16)12-6-10(13)14/h4-5,12H,6H2,1-3H3,(H,13,14)
InChI Key:
DBMAKTHWTJUNHI-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1c(C)cc(cc1C)C
Properties
Complexity:
361  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties