Home Sulfos 3-(3,4-dimethylbenzenesulfonamido)propanoic acid

3-(3,4-dimethylbenzenesulfonamido)propanoic acid

CAS No.:
459414-01-8
Catalog Number:
AG019HUJ
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
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Product Description
Catalog Number:
AG019HUJ
Chemical Name:
3-(3,4-dimethylbenzenesulfonamido)propanoic acid
CAS Number:
459414-01-8
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD02361180
IUPAC Name:
3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C11H15NO4S/c1-8-3-4-10(7-9(8)2)17(15,16)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChI Key:
IQVMYGSVWQCJFR-UHFFFAOYSA-N
SMILES:
OC(=O)CCNS(=O)(=O)c1ccc(c(c1)C)C
Properties
Complexity:
360  
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:
5  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties