Home Other Building Blocks 2-methyl-5-(methylsulfamoyl)benzoic acid

2-methyl-5-(methylsulfamoyl)benzoic acid

CAS No.:
926249-52-7
Catalog Number:
AG019OYQ
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG019OYQ
Chemical Name:
2-methyl-5-(methylsulfamoyl)benzoic acid
CAS Number:
926249-52-7
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD09041327
IUPAC Name:
2-methyl-5-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-6-3-4-7(15(13,14)10-2)5-8(6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
FQWJLMDMQRESMA-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(c(c1)C(=O)O)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties