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6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
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6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
structure -
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CAS No:
57462-90-5
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Formula:
C18H23ClN2O6
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Chemical Name:
6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
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Synonyms:
57462-90-5;4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(1-pyrrolidinyl)propyl)-, oxalate
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CAS No:
6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate Basic Attributes
398.8 g/mol
398.1244642 g/mol
Computed Properties
Molecular Weight:398.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:398.1244642
Monoisotopic Mass:398.1244642
Topological Polar Surface Area:111
Heavy Atom Count:27
Complexity:465
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 6-chloro-2-methyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
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