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203389-26-8 | 1H-Imidazolium, 3-hexyl-1-methyl-, nitrate (1:1)
CAS No: 203389-26-8 Catalog No: AG0028UH MDL No:
Product Description
Catalog Number:
AG0028UH
Chemical Name:
1H-Imidazolium, 3-hexyl-1-methyl-, nitrate (1:1)
CAS Number:
203389-26-8
Molecular Formula:
C10H21N3O3
Molecular Weight:
231.2920
IUPAC Name:
1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium;nitrate
InChI:
InChI=1S/C10H20N2.NO3/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3)4/h8-9H,3-7,10H2,1-2H3;/q;-1/p+1
InChI Key:
DJJUVCGRFZCTDO-UHFFFAOYSA-O
SMILES:
[O-][N+](=O)[O-].CCCCCCN1C=C[NH+](C1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.296g/mol
Monoisotopic Mass:
231.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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