3-benzyl-3-azabicyclo[3.1.0]hexan-2-one


Chemical Name: 3-benzyl-3-azabicyclo[3.1.0]hexan-2-one
CAS Number: 1198604-53-3
Product Number: AG000PSJ(AGN-PC-0HQEZI)
Synonyms:
MDL No:
Molecular Formula: C12H13NO
Molecular Weight: 187.2377

Identification/Properties


Computed Properties
Molecular Weight:
187.242g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
187.1g/mol
Monoisotopic Mass:
187.1g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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