4-Methyl-1H-imidazole-2-carbonitrile


Chemical Name: 4-Methyl-1H-imidazole-2-carbonitrile
CAS Number: 70631-95-7
Product Number: AG00FFDD(AGN-PC-0WAISN)
Synonyms:
MDL No:
Molecular Formula: C5H5N3
Molecular Weight: 107.1133

Identification/Properties


Computed Properties
Molecular Weight:
107.116g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
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:
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


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