3-(4-nitrophenyl)sulfanylpropanoic acid
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3-(4-nitrophenyl)sulfanylpropanoic acid
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CAS No:
7597-45-7
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Formula:
C9H9NO4S
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Chemical Name:
3-(4-nitrophenyl)sulfanylpropanoic acid
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Synonyms:
7597-45-7;3-(4-nitrophenyl)sulfanylpropanoic acid;NSC56879;Propanoic acid,3-[(4-nitrophenyl)thio]-;Cambridge id 5212613;Oprea1_008280;Oprea1_424458;SCHEMBL11904034;DTXSID80288602;ZINC275159;NSC-56879;AKOS000177518;MCULE-6463037121;3-[(4-Nitrophenyl)sulfanyl]propanoic acid;Propanoic acid, 3-[(4-nitrophenyl)thio]-;AB00075393-01
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CAS No:
3-(4-nitrophenyl)sulfanylpropanoic acid Basic Attributes
227.24 g/mol
227.02522894 g/mol
56879
DTXSID80288602
Computed Properties
Molecular Weight:227.24
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:227.02522894
Monoisotopic Mass:227.02522894
Topological Polar Surface Area:108
Heavy Atom Count:15
Complexity:233
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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