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Home > Imidazoles > 2524-90-5
2524-90-5 | 1-(4-Methyl-1H-imidazol-2-yl);ethanone
CAS No: 2524-90-5 Catalog No: AG006WO9 MDL No:MFCD08668179
Product Description
Catalog Number:
AG006WO9
Chemical Name:
1-(4-Methyl-1H-imidazol-2-yl);ethanone
CAS Number:
2524-90-5
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD08668179
IUPAC Name:
1-(5-methyl-1H-imidazol-2-yl)ethanone
InChI:
InChI=1S/C6H8N2O/c1-4-3-7-6(8-4)5(2)9/h3H,1-2H3,(H,7,8)
InChI Key:
XSLIWFPYEWEYLL-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)C(=O)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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