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Home > Imidazoles > 32385-77-6
32385-77-6 | N-[1-(3H-IMIDAZOL-4-YL)-3-OXO-BUTAN-2-YL]ACETAMIDE
CAS No: 32385-77-6 Catalog No: AG007GK8 MDL No:
Product Description
Catalog Number:
AG007GK8
Chemical Name:
N-[1-(3H-IMIDAZOL-4-YL)-3-OXO-BUTAN-2-YL]ACETAMIDE
CAS Number:
32385-77-6
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]acetamide
InChI:
InChI=1S/C9H13N3O2/c1-6(13)9(12-7(2)14)3-8-4-10-5-11-8/h4-5,9H,3H2,1-2H3,(H,10,11)(H,12,14)
InChI Key:
BTQSFAFDUGHODO-UHFFFAOYSA-N
SMILES:
CC(=O)C(NC(=O)C)Cc1cnc[nH]1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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