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Home > Imidazoles > 84227-32-7
84227-32-7 | Ethanone, 1-(5-methyl-2-propyl-1H-imidazol-4-yl)-
CAS No: 84227-32-7 Catalog No: AG004OCX MDL No:
Product Description
Catalog Number:
AG004OCX
Chemical Name:
Ethanone, 1-(5-methyl-2-propyl-1H-imidazol-4-yl)-
CAS Number:
84227-32-7
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
1-(5-methyl-2-propyl-1H-imidazol-4-yl)ethanone
InChI:
InChI=1S/C9H14N2O/c1-4-5-8-10-6(2)9(11-8)7(3)12/h4-5H2,1-3H3,(H,10,11)
InChI Key:
WXFQRFAPEICWRJ-UHFFFAOYSA-N
SMILES:
CCCc1nc(c([nH]1)C)C(=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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