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Home > Imidazoles > 110577-43-0
110577-43-0 | 1-Butanone,2-ethyl-1-(1H-imidazol-1-yl)-3,3-dimethyl-
CAS No: 110577-43-0 Catalog No: AG007UST MDL No:
Product Description
Catalog Number:
AG007UST
Chemical Name:
1-Butanone,2-ethyl-1-(1H-imidazol-1-yl)-3,3-dimethyl-
CAS Number:
110577-43-0
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
IUPAC Name:
2-ethyl-1-imidazol-1-yl-3,3-dimethylbutan-1-one
InChI:
InChI=1S/C11H18N2O/c1-5-9(11(2,3)4)10(14)13-7-6-12-8-13/h6-9H,5H2,1-4H3
InChI Key:
LKCQZUUUAHPXPS-UHFFFAOYSA-N
SMILES:
CCC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
208
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:
0
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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