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Home > Imidazoles > 78210-66-9
78210-66-9 | 1-(2-Methyl-1H-imidazol-4-yl);ethanone
CAS No: 78210-66-9 Catalog No: AG005D0D MDL No:MFCD00082202
Product Description
Catalog Number:
AG005D0D
Chemical Name:
1-(2-Methyl-1H-imidazol-4-yl);ethanone
CAS Number:
78210-66-9
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD00082202
IUPAC Name:
1-(2-methyl-1H-imidazol-5-yl)ethanone
InChI:
InChI=1S/C6H8N2O/c1-4(9)6-3-7-5(2)8-6/h3H,1-2H3,(H,7,8)
InChI Key:
MZJZNADJWQEIIG-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc([nH]1)C
Properties
Complexity:
124
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:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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