α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid
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![α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2bb17096de134047bfbe441a63f11638.png "α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid")
α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid
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CAS No:
101973-77-7
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Formula:
C14H16O4S
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Chemical Name:
α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,α-[(acetylthio)methyl]-4-methyl-γ-oxo-;α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid;KE 298;Esonarimod;2-Acetylthiomethyl-3-(4-methylbenzoyl)propionic acid
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CAS No:
α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid Basic Attributes
280.34 g/mol
280.34
DTXSID9048805
Computed Properties
Molecular Weight:280.34
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:280.07693016
Monoisotopic Mass:280.07693016
Topological Polar Surface Area:96.7
Heavy Atom Count:19
Complexity:345
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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