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Home > Imidazoles > 123557-86-8
123557-86-8 | 2H-Imidazole, 2,2-dimethyl-4-phenyl-, 1-oxide
CAS No: 123557-86-8 Catalog No: AG000KSW MDL No:
Product Description
Catalog Number:
AG000KSW
Chemical Name:
2H-Imidazole, 2,2-dimethyl-4-phenyl-, 1-oxide
CAS Number:
123557-86-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
2,2-dimethyl-1-oxido-4-phenylimidazol-1-ium
InChI:
InChI=1S/C11H12N2O/c1-11(2)12-10(8-13(11)14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
MGZHFNJKNFACFZ-UHFFFAOYSA-N
SMILES:
CC1(C)N=C(C=[N+]1[O-])c1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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