3-ethylsulfanylbenzoic acid
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3-ethylsulfanylbenzoic acid
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CAS No:
5537-74-6
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Formula:
C9H10O2S
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Chemical Name:
3-ethylsulfanylbenzoic acid
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Synonyms:
3-(Ethylthio)benzoic acid;3-(ethylsulfanyl)benzoic acid;5537-74-6;3-ethylsulfanylbenzoic acid;NSC113991;UNII-X097NKH6Y5;X097NKH6Y5;NSC 113991;Benzoicacid,3-(ethylthio)-;SCHEMBL1991282;DTXSID00203918;ZINC1704340;AKOS013491875;MCULE-7070052311;NE47186;NSC-113991;DS-014180;Z1551463493
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CAS No:
3-ethylsulfanylbenzoic acid Basic Attributes
182.24 g/mol
182.04015073 g/mol
X097NKH6Y5
113991
DTXSID00203918
Computed Properties
Molecular Weight:182.24
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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