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Home > Imidazoles > 88539-25-7
88539-25-7 | 1H-Imidazolium, 1-acetyl-3-(9-methoxy-9-oxononyl)-, iodide
CAS No: 88539-25-7 Catalog No: AG004E5C MDL No:
Product Description
Catalog Number:
AG004E5C
Chemical Name:
1H-Imidazolium, 1-acetyl-3-(9-methoxy-9-oxononyl)-, iodide
CAS Number:
88539-25-7
Molecular Formula:
C15H27IN2O3
Molecular Weight:
410.2910
IUPAC Name:
methyl 9-(1-acetyl-1,2-dihydroimidazol-1-ium-3-yl)nonanoate;iodide
InChI:
InChI=1S/C15H26N2O3.HI/c1-14(18)17-12-11-16(13-17)10-8-6-4-3-5-7-9-15(19)20-2;/h11-12H,3-10,13H2,1-2H3;1H
InChI Key:
GGQQSOUWIBHZSE-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCN1C=C[NH+](C1)C(=O)C.[I-]
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.296g/mol
Monoisotopic Mass:
410.107g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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