4,9-diazabicyclo[4.2.1]nonan-3-one


Chemical Name: 4,9-diazabicyclo[4.2.1]nonan-3-one
CAS Number: 1210963-09-9
Product Number: AG0096O1(AGN-PC-07HCXL)
Synonyms:
MDL No:
Molecular Formula: C7H12N2O
Molecular Weight: 140.1830

Identification/Properties


Computed Properties
Molecular Weight:
140.186g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
140.095g/mol
Monoisotopic Mass:
140.095g/mol
Topological Polar Surface Area:
41.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
158
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

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NMR Spectrum


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