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Home > Imidazoles > 796738-90-4
796738-90-4 | 1H-Imidazolium, 1-butyl-3-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-
CAS No: 796738-90-4 Catalog No: AG005INM MDL No:
Product Description
Catalog Number:
AG005INM
Chemical Name:
1H-Imidazolium, 1-butyl-3-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-
CAS Number:
796738-90-4
Molecular Formula:
C13H23N2O2+
Molecular Weight:
239.3339
IUPAC Name:
2-(1-butyl-1,2-dihydroimidazol-1-ium-3-yl)ethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C13H22N2O2/c1-4-5-6-14-7-8-15(11-14)9-10-17-13(16)12(2)3/h7-8H,2,4-6,9-11H2,1,3H3/p+1
InChI Key:
LRRCRNQDUQHCRW-UHFFFAOYSA-O
SMILES:
CCCC[NH+]1C=CN(C1)CCOC(=O)C(=C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.176g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.339g/mol
Monoisotopic Mass:
239.176g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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