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Home > Imidazoles > 2466-76-4
2466-76-4 | Ethanone, 1-(1H-imidazol-1-yl)-
CAS No: 2466-76-4 Catalog No: AG002OZE MDL No:MFCD00005287
Product Description
Catalog Number:
AG002OZE
Chemical Name:
Ethanone, 1-(1H-imidazol-1-yl)-
CAS Number:
2466-76-4
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD00005287
IUPAC Name:
1-imidazol-1-ylethanone
InChI:
InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
InChI Key:
VIHYIVKEECZGOU-UHFFFAOYSA-N
SMILES:
CC(=O)n1cncc1
EC Number:
219-577-7
UNII:
ZMP8X1Y11G
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:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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