Home Other Building Blocks 2-[(4-acetamidophenyl)sulfanyl]propanoic acid

2-[(4-acetamidophenyl)sulfanyl]propanoic acid

CAS No.:
954575-40-7
Catalog Number:
AG019VV9
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
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Product Description
Catalog Number:
AG019VV9
Chemical Name:
2-[(4-acetamidophenyl)sulfanyl]propanoic acid
CAS Number:
954575-40-7
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD09741478
IUPAC Name:
2-(4-acetamidophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C11H13NO3S/c1-7(11(14)15)16-10-5-3-9(4-6-10)12-8(2)13/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChI Key:
OLWFGPQNJWSRSA-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)SC(C(=O)O)C
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties