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112108-86-8 | 4-Cyano-2-methylimidazole
CAS No: 112108-86-8 Catalog No: AG008XVX MDL No:
Product Description
Catalog Number:
AG008XVX
Chemical Name:
4-Cyano-2-methylimidazole
CAS Number:
112108-86-8
IUPAC Name:
2-methyl-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C5H5N3/c1-4-7-3-5(2-6)8-4/h3H,1H3,(H,7,8)
InChI Key:
GSBGWLFUGNVIFB-UHFFFAOYSA-N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
107.116g/mol
Monoisotopic Mass:
107.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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