3-[(benzylsulfanyl)methyl]benzoic acid
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![3-[(benzylsulfanyl)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/536395db04804c38b9e910886798de64.png "3-[(benzylsulfanyl)methyl]benzoic acid")
3-[(benzylsulfanyl)methyl]benzoic acid
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CAS No:
946730-01-4
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Formula:
C15H14O2S
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Chemical Name:
3-[(benzylsulfanyl)methyl]benzoic acid
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Synonyms:
3-[(Benzylsulfanyl)methyl]benzoic acid;946730-01-4;3-((Benzylthio)methyl)benzoic acid;ZINC8729643;3-(benzylsulfanylmethyl)benzoic acid;AKOS000100466
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CAS No:
Computed Properties
Molecular Weight:258.3
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:258.07145086
Monoisotopic Mass:258.07145086
Topological Polar Surface Area:62.6
Heavy Atom Count:18
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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