1H-Pyrazole-3-acetonitrile


Chemical Name: 1H-Pyrazole-3-acetonitrile
CAS Number: 135237-01-3
Product Number: AG009BZY(AGN-PC-0O17KF)
Synonyms:
MDL No: MFCD08436151
Molecular Formula: C5H5N3
Molecular Weight: 107.1133

Identification/Properties


Computed Properties
Molecular Weight:
107.116g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
107.048g/mol
Monoisotopic Mass:
107.048g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
112
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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