Home Other Building Blocks 2-[4-(methylsulfamoyl)phenyl]acetic acid

2-[4-(methylsulfamoyl)phenyl]acetic acid

CAS No.:
261524-34-9
Catalog Number:
AG01ABLC
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG01ABLC
Chemical Name:
2-[4-(methylsulfamoyl)phenyl]acetic acid
CAS Number:
261524-34-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD09897723
IUPAC Name:
2-[4-(methylsulfamoyl)phenyl]acetic acid
InChI:
InChI=1S/C9H11NO4S/c1-10-15(13,14)8-4-2-7(3-5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChI Key:
ZXDNTWJBNNPRLP-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(cc1)CC(=O)O
Properties
Complexity:
312  
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:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties