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Home > Imidazoles > 122981-62-8
122981-62-8 | 4H-Imidazole, 4,4-dimethyl-5-phenyl-, 3-oxide
CAS No: 122981-62-8 Catalog No: AG000JV1 MDL No:
Product Description
Catalog Number:
AG000JV1
Chemical Name:
4H-Imidazole, 4,4-dimethyl-5-phenyl-, 3-oxide
CAS Number:
122981-62-8
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
5,5-dimethyl-1-oxido-4-phenylimidazol-1-ium
InChI:
InChI=1S/C11H12N2O/c1-11(2)10(12-8-13(11)14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
ZKTFSONNDGEVLA-UHFFFAOYSA-N
SMILES:
CC1(C)[N+](=CN=C1c1ccccc1)[O-]
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:
1
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:
1.5
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