4-(4-methylphenyl)-4-oxo-2-(sulfanylmethyl)butanoic acid
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4-(4-methylphenyl)-4-oxo-2-(sulfanylmethyl)butanoic acid
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CAS No:
153475-06-0
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Formula:
C12H14O3S
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Chemical Name:
4-(4-methylphenyl)-4-oxo-2-(sulfanylmethyl)butanoic acid
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Synonyms:
2-mercaptomethyl-4-(4-methylphenyl)-4-oxobutanoic acid;KE 758;KE-758;4-(4-methylphenyl)-4-oxo-2-(sulfanylmethyl)butanoic Acid;153475-06-0;SCHEMBL6370484;DTXSID10934761;Benzenebutanoic acid, alpha-(mercaptomethyl)-4-methyl-g-oxo-;KE-758
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CAS No:
4-(4-methylphenyl)-4-oxo-2-(sulfanylmethyl)butanoic acid Basic Attributes
238.30 g/mol
238.06636548 g/mol
Computed Properties
Molecular Weight:238.30
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:238.06636548
Monoisotopic Mass:238.06636548
Topological Polar Surface Area:55.4
Heavy Atom Count:16
Complexity:257
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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