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1127-74-8

1127-74-8 structural image
Product Name: 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
Formula: C10H11NO
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COMPUTED DESCRIPTORS

Molecular Weight 161.20 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 161.084063974 g/mol
Monoisotopic Mass 161.084063974 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 179
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes