3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
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3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
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CAS No:
29140-43-0
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Formula:
C22H27NO6S
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Chemical Name:
3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
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Synonyms:
LU 5-069 oxalate;29140-43-0;1,3-Dihydro-1-phenyl-N,3,3-trimethylbenzo(c)thiophene-1-propylamine 2,2-dioxide oxalate;Benzo(c)thiophene-1-propylamine, 1,3-dihydro-1-phenyl-N,3,3-trimethyl-, 2,2-dioxide, oxalate
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CAS No:
3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate Basic Attributes
433.5 g/mol
433.15590875 g/mol
Computed Properties
Molecular Weight:433.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:433.15590875
Monoisotopic Mass:433.15590875
Topological Polar Surface Area:137
Heavy Atom Count:30
Complexity:608
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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