3-phenylsulfanylbutanoic acid
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3-phenylsulfanylbutanoic acid
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CAS No:
880-13-7
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Formula:
C10H12O2S
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Chemical Name:
3-phenylsulfanylbutanoic acid
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Synonyms:
2-hydroxycarbonyl-1-methylethyl phenyl sulfide;880-13-7;3-phenylsulfanylbutanoic acid;ACMC-20ml8k;3-(Phenylthio)butanoic acid;3-(Phenylthio)-butyric acid;SCHEMBL11637842;Butanoic acid, 3-(phenylthio)-, (R)-;115395-14-7
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CAS No:
Computed Properties
Molecular Weight:196.27
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:196.05580079
Monoisotopic Mass:196.05580079
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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