but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone
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![but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6d49cf63078e4d779c8081126c469b09.png "but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone")
but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone
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CAS No:
152271-08-4
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Formula:
C42H62N2O12
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Chemical Name:
but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone
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Synonyms:
Ethanone, 1-(4-(2-hydroxy-3-(1-pyrrolidinyl)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt);LS-67486
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CAS No:
but-2-enedioic acid, 1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-3-(pro poxymethyl)phenyl]ethanone Basic Attributes
786.96
786.43
Computed Properties
Molecular Weight:786.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:22
Exact Mass:786.43027542
Monoisotopic Mass:786.43027542
Topological Polar Surface Area:193
Heavy Atom Count:56
Complexity:489
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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