rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one
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![rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/79ac1e9cc8374b6a868dd07d75356cd5.png "rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one")
rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one
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CAS No:
75992-53-9
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Formula:
C11H13NO4
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Chemical Name:
rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one
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Synonyms:
4,7-Methanoisobenzofuran-1(3H)-one,3a,4,7,7a-tetrahydro-3-[[(methylamino)carbonyl]oxy]-,(3R,3aS,4R,7S,7aR)-rel-;4,7-Methanoisobenzofuran-1(3H)-one,3a,4,7,7a-tetrahydro-3-[[(methylamino)carbonyl]oxy]-,(3α,3aα,4α,7α,7aα)-;rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one;Lu 253;Moxadolen
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CAS No:
rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one Basic Attributes
223.22 g/mol
223.23
DTXSID20275718
Computed Properties
Molecular Weight:223.22
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:223.08445790
Monoisotopic Mass:223.08445790
Topological Polar Surface Area:64.6
Heavy Atom Count:16
Complexity:378
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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