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828931-67-5 | 1H-Imidazo[1,2-a]imidazole-5,6-dione, 2,3-dihydro-1-methyl-2-phenyl-
CAS No: 828931-67-5 Catalog No: AG004RVD MDL No:
Product Description
Catalog Number:
AG004RVD
Chemical Name:
1H-Imidazo[1,2-a]imidazole-5,6-dione, 2,3-dihydro-1-methyl-2-phenyl-
CAS Number:
828931-67-5
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
1-methyl-2-phenyl-2,3-dihydroimidazo[1,2-a]imidazole-5,6-dione
InChI:
InChI=1S/C12H11N3O2/c1-14-9(8-5-3-2-4-6-8)7-15-11(17)10(16)13-12(14)15/h2-6,9H,7H2,1H3
InChI Key:
KKHBXODHNBZOKE-UHFFFAOYSA-N
SMILES:
CN1C2=NC(=O)C(=O)N2CC1c1ccccc1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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