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38870-68-7 | 4H-Imidazole, 2,4,4-trimethyl-5-phenyl-, 1,3-dioxide
CAS No: 38870-68-7 Catalog No: AG0077KH MDL No:
Product Description
Catalog Number:
AG0077KH
Chemical Name:
4H-Imidazole, 2,4,4-trimethyl-5-phenyl-, 1,3-dioxide
CAS Number:
38870-68-7
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
2,4,4-trimethyl-1,3-dioxido-5-phenylimidazole-1,3-diium
InChI:
InChI=1S/C12H14N2O2/c1-9-13(15)11(12(2,3)14(9)16)10-7-5-4-6-8-10/h4-8H,1-3H3
InChI Key:
WGCLRJBABPMRCK-UHFFFAOYSA-N
SMILES:
CC1=[N+]([O-])C(C(=[N+]1[O-])c1ccccc1)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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