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Home > Imidazoles > 127663-84-7
127663-84-7 | 1-(1H-IMIDAZOL-4-YL)-PROPAN-2-ONE
CAS No: 127663-84-7 Catalog No: AG009G14 MDL No:
Product Description
Catalog Number:
AG009G14
Chemical Name:
1-(1H-IMIDAZOL-4-YL)-PROPAN-2-ONE
CAS Number:
127663-84-7
IUPAC Name:
1-(1H-imidazol-5-yl)propan-2-one
InChI:
InChI=1S/C6H8N2O/c1-5(9)2-6-3-7-4-8-6/h3-4H,2H2,1H3,(H,7,8)
InChI Key:
RNOIWXBKKFAIJP-UHFFFAOYSA-N
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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