2-Oxocyclohexanecarbonitrile


Chemical Name: 2-Oxocyclohexanecarbonitrile
CAS Number: 4513-77-3
Product Number: AG00DCL7(AGN-PC-0WAIXH)
Synonyms:
MDL No:
Molecular Formula: C7H9NO
Molecular Weight: 123.1525

Identification/Properties


Properties
MP:
290 °C
BP:
270.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
123.155g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
123.068g/mol
Monoisotopic Mass:
123.068g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
165
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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