Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
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Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
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CAS No:
71592-44-4
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Formula:
C13H17NO2
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Chemical Name:
Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
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Synonyms:
2H-Azepin-2-one,hexahydro-3-(3-hydroxyphenyl)-1-methyl-;Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
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CAS No:
Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one Basic Attributes
219.28000
219.28
275-650-3
2933790090
Characteristics
40.54000
2.05600
1.128g/cm3
192-193 °C @ Solvent: Ethyl acetate
413.983ºC
204.17ºC
1.555
Computed Properties
Molecular Weight:219.28
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:219.125928785
Monoisotopic Mass:219.125928785
Topological Polar Surface Area:40.5
Heavy Atom Count:16
Complexity:254
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of Hexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
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