2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate
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![2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6027a73fd82d4228ae32f2a6f4f9a5c1.png "2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate")
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate
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CAS No:
82387-09-5
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Formula:
C18H19NO5S
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Chemical Name:
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate
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Synonyms:
82387-09-5;N-Methyl-11H-dibenz(b,f)-1,4-oxathiepin-11-ethanamine ethanedioate;11-(2-Methylaminoethyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxalate;11H-DIBENZ(b,f)-1,4-OXATHIEPIN-11-ETHANAMINE, N-METHYL-, ETHANEDIOATE
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CAS No:
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)ethyl-methylazanium;2-hydroxy-2-oxoacetate Basic Attributes
361.4 g/mol
361.09839388 g/mol
Computed Properties
Molecular Weight:361.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:361.09839388
Monoisotopic Mass:361.09839388
Topological Polar Surface Area:129
Heavy Atom Count:25
Complexity:364
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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