1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine,(E)-but-2-enedioic acid
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![1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine,(E)-but-2-enedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2ee6053a6cff4527960d38dbd6716a47.png "1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine,(E)-but-2-enedioic acid")
1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine,(E)-but-2-enedioic acid
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CAS No:
127876-88-4
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Formula:
C20H23NO5S
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Chemical Name:
1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine,(E)-but-2-enedioic acid
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CAS No:
1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine,(E)-but-2-enedioic acid Basic Attributes
389.46500
389.12969401
Computed Properties
Molecular Weight:389.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:389.12969401
Monoisotopic Mass:389.12969401
Topological Polar Surface Area:123
Heavy Atom Count:27
Complexity:407
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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