2,6-dioxocyclohexanecarbonitrile


Chemical Name: 2,6-dioxocyclohexanecarbonitrile
CAS Number: 42038-85-7
Product Number: AG019F2M(AG019F2M)
Synonyms:
MDL No:
Molecular Formula: C7H7NO2
Molecular Weight: 137.1360

Identification/Properties


Computed Properties
Molecular Weight:
137.138g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
137.048g/mol
Monoisotopic Mass:
137.048g/mol
Topological Polar Surface Area:
57.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
207
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

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NMR Spectrum


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