2-benzylsulfonylpropanoic acid
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2-benzylsulfonylpropanoic acid
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CAS No:
20803-98-9
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Formula:
C10H12O4S
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Chemical Name:
2-benzylsulfonylpropanoic acid
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Synonyms:
20803-98-9;2-benzylsulfonylpropanoic acid;2-(benzylsulfonyl)propanoic acid;NSC114216;Propanoicacid, 2-[(phenylmethyl)sulfonyl]-;SCHEMBL6558824;DTXSID30297123;AKOS000176860;NSC-114216;DS-012329
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CAS No:
2-benzylsulfonylpropanoic acid Basic Attributes
228.27 g/mol
228.04563003 g/mol
114216
DTXSID30297123
Computed Properties
Molecular Weight:228.27
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:228.04563003
Monoisotopic Mass:228.04563003
Topological Polar Surface Area:79.8
Heavy Atom Count:15
Complexity:309
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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