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Home > Imidazoles > 82949-05-1
82949-05-1 | 1H-Imidazole-1-acetonitrile, 2-methyl-
CAS No: 82949-05-1 Catalog No: AG005EON MDL No:MFCD09932057
Product Description
Catalog Number:
AG005EON
Chemical Name:
1H-Imidazole-1-acetonitrile, 2-methyl-
CAS Number:
82949-05-1
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
MDL Number:
MFCD09932057
IUPAC Name:
2-(2-methylimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C6H7N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,4H2,1H3
InChI Key:
NWZKSTUZKJCCMK-UHFFFAOYSA-N
SMILES:
Cc1nccn1CC#N
EC Number:
433-040-6
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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