4-(methylsulfinylmethyl)benzoic acid
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4-(methylsulfinylmethyl)benzoic acid
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CAS No:
199534-99-1
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Formula:
C9H10O3S
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Chemical Name:
4-(methylsulfinylmethyl)benzoic acid
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Synonyms:
4-(methylsulfinylmethyl)benzoic acid;Benzoic acid, 4-[(methylsulfinyl)methyl]-;199534-99-1;CHEMBL435388;4-Methanesulfinylmethyl-benzoic acid;AKOS010555253
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CAS No:
Computed Properties
Molecular Weight:198.24
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:198.03506535
Monoisotopic Mass:198.03506535
Topological Polar Surface Area:73.6
Heavy Atom Count:13
Complexity:207
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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