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55738-12-0 | 1-BENZYL-4,5-DIMETHYLIMIDAZOLE-3-OXIDE
CAS No: 55738-12-0 Catalog No: AG00DEJC MDL No:
Product Description
Catalog Number:
AG00DEJC
Chemical Name:
1-BENZYL-4,5-DIMETHYLIMIDAZOLE-3-OXIDE
CAS Number:
55738-12-0
IUPAC Name:
1-benzyl-4,5-dimethyl-3-oxidoimidazol-3-ium
InChI:
InChI=1S/C12H14N2O/c1-10-11(2)14(15)9-13(10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChI Key:
PQOOKVJVGVBSFK-UHFFFAOYSA-N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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