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Home > Imidazoles > 261711-48-2
261711-48-2 | 3-Pentanone, 1-(1H-imidazol-4-yl)-4-methyl- (9CI)
CAS No: 261711-48-2 Catalog No: AG00CGX9 MDL No:
Product Description
Catalog Number:
AG00CGX9
Chemical Name:
3-Pentanone, 1-(1H-imidazol-4-yl)-4-methyl- (9CI)
CAS Number:
261711-48-2
IUPAC Name:
1-(1H-imidazol-5-yl)-4-methylpentan-3-one
InChI:
InChI=1S/C9H14N2O/c1-7(2)9(12)4-3-8-5-10-6-11-8/h5-7H,3-4H2,1-2H3,(H,10,11)
InChI Key:
QXEHIDUUAIJDIH-UHFFFAOYSA-N
Properties
Complexity:
157
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:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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