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Home > Imidazoles > 88940-53-8
88940-53-8 | 1H-Imidazole-1-butanenitrile, 2-methyl-
CAS No: 88940-53-8 Catalog No: AG0089W5 MDL No:
Product Description
Catalog Number:
AG0089W5
Chemical Name:
1H-Imidazole-1-butanenitrile, 2-methyl-
CAS Number:
88940-53-8
Molecular Formula:
C8H11N3
Molecular Weight:
149.1930
IUPAC Name:
4-(2-methylimidazol-1-yl)butanenitrile
InChI:
InChI=1S/C8H11N3/c1-8-10-5-7-11(8)6-3-2-4-9/h5,7H,2-3,6H2,1H3
InChI Key:
GAVJQGBINATMCV-UHFFFAOYSA-N
SMILES:
N#CCCCn1ccnc1C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.197g/mol
Monoisotopic Mass:
149.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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