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Home > Imidazoles > 53981-69-4
53981-69-4 | 1-(1H-imidazol-2-yl)ethanone
CAS No: 53981-69-4 Catalog No: AG00D95Y MDL No:MFCD09878742
Product Description
Catalog Number:
AG00D95Y
Chemical Name:
1-(1H-imidazol-2-yl)ethanone
CAS Number:
53981-69-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD09878742
IUPAC Name:
1-(1H-imidazol-2-yl)ethanone
InChI:
InChI=1S/C5H6N2O/c1-4(8)5-6-2-3-7-5/h2-3H,1H3,(H,6,7)
InChI Key:
OSMJIXXVEWORDJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncc[nH]1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Catalysis of the methanolysis of activated amides by divalent and trivalent metal ions. The effect of Zn(2+), Co(2+), and La(3+) on the methanolysis of acetylimidazole and its (NH(3))(5)Co(III) complex. | Journal of the American Chemical Society 20010117 |
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