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Home > Imidazoles > 172534-83-7
172534-83-7 | 1H-Imidazole, 1-(4-methylphenyl)-, 3-oxide
CAS No: 172534-83-7 Catalog No: AG007VTE MDL No:
Product Description
Catalog Number:
AG007VTE
Chemical Name:
1H-Imidazole, 1-(4-methylphenyl)-, 3-oxide
CAS Number:
172534-83-7
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
1-(4-methylphenyl)-3-oxidoimidazol-3-ium
InChI:
InChI=1S/C10H10N2O/c1-9-2-4-10(5-3-9)11-6-7-12(13)8-11/h2-8H,1H3
InChI Key:
ZUZXKQWAVVFYOY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc[n+](c1)[O-]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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