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828931-70-0 | 1H-Imidazo[1,2-a]imidazole-5,6-dione, 1-ethyl-2,3-dihydro-2-phenyl-
CAS No: 828931-70-0 Catalog No: AG004RVC MDL No:
Product Description
Catalog Number:
AG004RVC
Chemical Name:
1H-Imidazo[1,2-a]imidazole-5,6-dione, 1-ethyl-2,3-dihydro-2-phenyl-
CAS Number:
828931-70-0
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
1-ethyl-2-phenyl-2,3-dihydroimidazo[1,2-a]imidazole-5,6-dione
InChI:
InChI=1S/C13H13N3O2/c1-2-15-10(9-6-4-3-5-7-9)8-16-12(18)11(17)14-13(15)16/h3-7,10H,2,8H2,1H3
InChI Key:
NZHPJGJQHPWYLV-UHFFFAOYSA-N
SMILES:
CCN1C2=NC(=O)C(=O)N2CC1c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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