Home Other Building Blocks 3-(3-sulfamoylphenyl)propanoic acid

3-(3-sulfamoylphenyl)propanoic acid

CAS No.:
933728-67-7
Catalog Number:
AG01EKDG
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG01EKDG
Chemical Name:
3-(3-sulfamoylphenyl)propanoic acid
CAS Number:
933728-67-7
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD18324219
IUPAC Name:
3-(3-sulfamoylphenyl)propanoic acid
InChI:
InChI=1S/C9H11NO4S/c10-15(13,14)8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)(H2,10,13,14)
InChI Key:
NJNFZMGVTAZKOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)S(=O)(=O)N
Properties
Complexity:
320  
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:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties