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Home > Imidazoles > 304457-79-2
304457-79-2 | 1-Butanone, 1-(1H-imidazol-5-yl)-
CAS No: 304457-79-2 Catalog No: AG00305E MDL No:
Product Description
Catalog Number:
AG00305E
Chemical Name:
1-Butanone, 1-(1H-imidazol-5-yl)-
CAS Number:
304457-79-2
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
IUPAC Name:
1-(1H-imidazol-5-yl)butan-1-one
InChI:
InChI=1S/C7H10N2O/c1-2-3-7(10)6-4-8-5-9-6/h4-5H,2-3H2,1H3,(H,8,9)
InChI Key:
QIZOKBZNKXMXJK-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cnc[nH]1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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