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Home > Imidazoles > 121802-99-1
121802-99-1 | 1H-Imidazole-5-carbonitrile, 1-methyl-2-(2-methyl-1-propen-1-yl)-
CAS No: 121802-99-1 Catalog No: AG00162T MDL No:
Product Description
Catalog Number:
AG00162T
Chemical Name:
1H-Imidazole-5-carbonitrile, 1-methyl-2-(2-methyl-1-propen-1-yl)-
CAS Number:
121802-99-1
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
3-methyl-2-(2-methylprop-2-enyl)imidazole-4-carbonitrile
InChI:
InChI=1S/C9H11N3/c1-7(2)4-9-11-6-8(5-10)12(9)3/h6H,1,4H2,2-3H3
InChI Key:
QPLOMRIVSTWCLV-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(n1C)C=C(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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