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2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol,(Z)-4-hydroxy-4-oxobut-2-enoate
2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol,(Z)-4-hydroxy-4-oxobut-2-enoate
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2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol,(Z)-4-hydroxy-4-oxobut-2-enoate
structure -
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CAS No:
55020-20-7
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Formula:
C21H29NO5
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Chemical Name:
2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol,(Z)-4-hydroxy-4-oxobut-2-enoate
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Synonyms:
2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol;
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CAS No:
2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol,(Z)-4-hydroxy-4-oxobut-2-enoate Basic Attributes
375.45900
375.20457303
Computed Properties
Molecular Weight:375.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:375.20457303
Monoisotopic Mass:375.20457303
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:402
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 2-(azepan-1-ium-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol,(Z)-4-hydroxy-4-oxobut-2-enoate
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