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Home > Imidazoles > 88539-26-8
88539-26-8 | 1H-Imidazolium, 1-acetyl-3-(8-ethoxy-8-oxo-6-octenyl)-, iodide
CAS No: 88539-26-8 Catalog No: AG004E5B MDL No:
Product Description
Catalog Number:
AG004E5B
Chemical Name:
1H-Imidazolium, 1-acetyl-3-(8-ethoxy-8-oxo-6-octenyl)-, iodide
CAS Number:
88539-26-8
Molecular Formula:
C15H25IN2O3
Molecular Weight:
408.2751
IUPAC Name:
ethyl 8-(1-acetyl-1,2-dihydroimidazol-1-ium-3-yl)oct-2-enoate;iodide
InChI:
InChI=1S/C15H24N2O3.HI/c1-3-20-15(19)9-7-5-4-6-8-10-16-11-12-17(13-16)14(2)18;/h7,9,11-12H,3-6,8,10,13H2,1-2H3;1H
InChI Key:
BFVFXQSJVZCMIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CCCCCCN1C=C[NH+](C1)C(=O)C.[I-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.28g/mol
Monoisotopic Mass:
408.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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