1H-Pyrazole-4-carbonitrile, 1-methyl-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 1-methyl-
CAS Number: 66121-71-9
Product Number: AG0039XJ(AGN-PC-0NK4D6)
Synonyms:
MDL No: MFCD04969704
Molecular Formula: C5H5N3
Molecular Weight: 107.1133

Identification/Properties


Computed Properties
Molecular Weight:
107.116g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
107.048g/mol
Monoisotopic Mass:
107.048g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
123
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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