Home Nitros 2-[(4-nitrophenyl)sulfanyl]propanoic acid

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

CAS No.:
794582-38-0
Catalog Number:
AG019NQ6
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
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Product Description
Catalog Number:
AG019NQ6
Chemical Name:
2-[(4-nitrophenyl)sulfanyl]propanoic acid
CAS Number:
794582-38-0
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
MDL Number:
MFCD06368074
IUPAC Name:
2-(4-nitrophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C9H9NO4S/c1-6(9(11)12)15-8-4-2-7(3-5-8)10(13)14/h2-6H,1H3,(H,11,12)
InChI Key:
ACSMBGHECSLDPA-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1ccc(cc1)[N+](=O)[O-])C
NSC Number:
519842
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties