4H-Azepin-4-one, hexahydro-


Chemical Name: 4H-Azepin-4-one, hexahydro-
CAS Number: 105416-56-6
Product Number: AG008XG2(AGN-PC-0K63TK)
Synonyms:
MDL No:
Molecular Formula: C6H11NO
Molecular Weight: 113.1576

Identification/Properties


Computed Properties
Molecular Weight:
113.16g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
113.084g/mol
Monoisotopic Mass:
113.084g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
90.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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