2-benzyl-3-methylsulfonylpropanoic acid
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2-benzyl-3-methylsulfonylpropanoic acid
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CAS No:
116622-11-8
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Formula:
C11H14O4S
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Chemical Name:
2-benzyl-3-methylsulfonylpropanoic acid
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Synonyms:
NSC678411;2-benzyl-3-methylsulfonylpropanoic acid;2-benzyl-3-methanesulfonylpropanoic acid;2-Benzyl-3-(methylsulfonyl)propanoic acid;SCHEMBL7325595;NSC-678411;2-benzyl-3-methylsulfonyl-propanoic acid;116622-11-8;2-benzyl-3-methylsulphonyl-propionic acid;NCI60_028084
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CAS No:
Computed Properties
Molecular Weight:242.29
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:242.06128010
Monoisotopic Mass:242.06128010
Topological Polar Surface Area:79.8
Heavy Atom Count:16
Complexity:322
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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