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Home > Imidazoles > 84227-38-3
84227-38-3 | 1-Butanone, 1-(5-methyl-2-propyl-1H-imidazol-4-yl)-
CAS No: 84227-38-3 Catalog No: AG008GH9 MDL No:
Product Description
Catalog Number:
AG008GH9
Chemical Name:
1-Butanone, 1-(5-methyl-2-propyl-1H-imidazol-4-yl)-
CAS Number:
84227-38-3
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
IUPAC Name:
1-(5-methyl-2-propyl-1H-imidazol-4-yl)butan-1-one
InChI:
InChI=1S/C11H18N2O/c1-4-6-9(14)11-8(3)12-10(13-11)7-5-2/h4-7H2,1-3H3,(H,12,13)
InChI Key:
CIUXEJNRPUOAMT-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1nc([nH]c1C)CCC
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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