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Home > Imidazoles > 602306-54-7
602306-54-7 | 1-(3-ISOBUTYL-3H-IMIDAZOL-4-YL)-ETHANONE
CAS No: 602306-54-7 Catalog No: AG00EFJQ MDL No:
Product Description
Catalog Number:
AG00EFJQ
Chemical Name:
1-(3-ISOBUTYL-3H-IMIDAZOL-4-YL)-ETHANONE
CAS Number:
602306-54-7
IUPAC Name:
1-[3-(2-methylpropyl)imidazol-4-yl]ethanone
InChI:
InChI=1S/C9H14N2O/c1-7(2)5-11-6-10-4-9(11)8(3)12/h4,6-7H,5H2,1-3H3
InChI Key:
QXZLSXPZWYMZFO-UHFFFAOYSA-N
Properties
Complexity:
168
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:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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