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54443-90-2 | 1-Hexyl-2-methylbenzoxazolium iodide
CAS No: 54443-90-2 Catalog No: AG003EDY MDL No:
Product Description
Catalog Number:
AG003EDY
Chemical Name:
1-Hexyl-2-methylbenzoxazolium iodide
CAS Number:
54443-90-2
IUPAC Name:
3-hexyl-2-methyl-1,3-benzoxazol-3-ium;iodide
InChI:
InChI=1S/C14H20NO.HI/c1-3-4-5-8-11-15-12(2)16-14-10-7-6-9-13(14)15;/h6-7,9-10H,3-5,8,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
JODPCJBSBVRLEF-UHFFFAOYSA-M
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.224g/mol
Monoisotopic Mass:
345.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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