3-[(4-iodophenyl)methylsulfanyl]propanoic acid
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![3-[(4-iodophenyl)methylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/991a4ade423e4d31816139ccf9349d50.png "3-[(4-iodophenyl)methylsulfanyl]propanoic acid")
3-[(4-iodophenyl)methylsulfanyl]propanoic acid
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CAS No:
52274-07-4
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Formula:
C10H11IO2S
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Chemical Name:
3-[(4-iodophenyl)methylsulfanyl]propanoic acid
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Synonyms:
NSC40019;52274-07-4;NSC-40019;3-[(4-iodophenyl)methylsulfanyl]propanoic acid;NCIStruc1_001278;NCIStruc2_001287;CHEMBL1607377;DTXSID90284973;NCI40019;ZINC1671683;CCG-36731;NCGC00013467;3-((4-iodobenzyl)thio)propanoic acid;AKOS014836686;NCGC00013467-02;NCGC00096582-01;NCI60_003729
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CAS No:
3-[(4-iodophenyl)methylsulfanyl]propanoic acid Basic Attributes
322.16 g/mol
321.95245 g/mol
40019
DTXSID90284973
Computed Properties
Molecular Weight:322.16
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:321.95245
Monoisotopic Mass:321.95245
Topological Polar Surface Area:62.6
Heavy Atom Count:14
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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