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5691-27-0

5691-27-0 structural image
Product Name: 4,5-BENZO-CIS-7-AZABICYCLO[4.2.0]OCTAN-8-ONE
Formula: C11H11NO
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COMPUTED DESCRIPTORS

Molecular Weight 173.21 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 173.084063974 g/mol
Monoisotopic Mass 173.084063974 g/mol
Topological Polar Surface Area 29.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 238
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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