2-Azabicyclo[2.2.1]hept-5-en-3-one


Chemical Name: 2-Azabicyclo[2.2.1]hept-5-en-3-one
CAS Number: 49805-30-3
Product Number: AG00334L(AGN-PC-00G6X5)
Synonyms:
MDL No: MFCD00213364
Molecular Formula: C6H7NO
Molecular Weight: 109.1259

Identification/Properties


Properties
MP:
57.5 - 57.6 °C
BP:
319.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5040 (estimate)
Computed Properties
Molecular Weight:
109.128g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
109.053g/mol
Monoisotopic Mass:
109.053g/mol
Topological Polar Surface Area:
29.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
162
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


NMR Spectrum


Other Analytical Data


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