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Home > Imidazoles > 89517-75-9
89517-75-9 | 2-Butanone, 3-(1,3-dioxolan-2-yl)-1-(1H-imidazol-1-yl)-3-methyl-
CAS No: 89517-75-9 Catalog No: AG0087B9 MDL No:
Product Description
Catalog Number:
AG0087B9
Chemical Name:
2-Butanone, 3-(1,3-dioxolan-2-yl)-1-(1H-imidazol-1-yl)-3-methyl-
CAS Number:
89517-75-9
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
3-(1,3-dioxolan-2-yl)-1-imidazol-1-yl-3-methylbutan-2-one
InChI:
InChI=1S/C11H16N2O3/c1-11(2,10-15-5-6-16-10)9(14)7-13-4-3-12-8-13/h3-4,8,10H,5-7H2,1-2H3
InChI Key:
MZGXGUMUKDSORX-UHFFFAOYSA-N
SMILES:
O=C(C(C1OCCO1)(C)C)Cn1cncc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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