Pentanenitrile, 4-methyl-3-oxo-


Chemical Name: Pentanenitrile, 4-methyl-3-oxo-
CAS Number: 29509-06-6
Product Number: AG002YLT(AGN-PC-0MZ9X4)
Synonyms:
MDL No: MFCD05664144
Molecular Formula: C6H9NO
Molecular Weight: 111.1418

Identification/Properties


Properties
BP:
160°C at 760 mmHg
Storage:
2-8℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
111.144g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
111.068g/mol
Monoisotopic Mass:
111.068g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
129
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

Safety Information


NMR Spectrum


Other Analytical Data


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