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Home > Imidazoles > 58216-76-5
58216-76-5 | N'-1'-(1-Acetyl-2-methyl-1H-imidazol-4-yl)acetamide
CAS No: 58216-76-5 Catalog No: AG00JAC5 MDL No:MFCD01461647
Product Description
Catalog Number:
AG00JAC5
Chemical Name:
N'-1'-(1-Acetyl-2-methyl-1H-imidazol-4-yl)acetamide
CAS Number:
58216-76-5
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
MDL Number:
MFCD01461647
IUPAC Name:
N-(1-acetyl-2-methylimidazol-4-yl)acetamide
InChI:
InChI=1S/C8H11N3O2/c1-5-9-8(10-6(2)12)4-11(5)7(3)13/h4H,1-3H3,(H,10,12)
InChI Key:
URINBERYXARSMG-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(n(c1)C(=O)C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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