2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)
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![2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5103760fe0d64bfc8db5756dc009bc03.png "2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)")
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)
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CAS No:
53166-67-9
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Formula:
C10H15NO.C10H6O4
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Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1)
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Synonyms:
2H-1-Benzopyran-3-carboxylic acid,2-oxo-,compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1);Ephedrine,compd. of trans-,with coumarin-3-carboxylic acid;Benzenemethanol,α-[1-(methylamino)ethyl]-,[R-(R*,S*)]-,2-oxo-2H-1-benzopyran-3-carboxylate (salt);Cumephedrine
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CAS No:
2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-α-[1-(methylamino)ethyl]benzenemethanol (1:1) Basic Attributes
355.38400
355.14197277
258-405-5
Computed Properties
Molecular Weight:355.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:355.14197277
Monoisotopic Mass:355.14197277
Topological Polar Surface Area:95.9
Heavy Atom Count:26
Complexity:426
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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