Home Sulfos 3-(2,4,6-trimethylbenzenesulfonamido)propanoic acid

3-(2,4,6-trimethylbenzenesulfonamido)propanoic acid

CAS No.:
785792-44-1
Catalog Number:
AG019JYD
Molecular Formula:
C12H17NO4S
Molecular Weight:
271.3327
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Product Description
Catalog Number:
AG019JYD
Chemical Name:
3-(2,4,6-trimethylbenzenesulfonamido)propanoic acid
CAS Number:
785792-44-1
Molecular Formula:
C12H17NO4S
Molecular Weight:
271.3327
MDL Number:
MFCD06351001
IUPAC Name:
3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C12H17NO4S/c1-8-6-9(2)12(10(3)7-8)18(16,17)13-5-4-11(14)15/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChI Key:
VWWUPADKTAUKGJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1c(C)cc(cc1C)C
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.088g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.331g/mol
Monoisotopic Mass:
271.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties