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828931-75-5 | 1H-Imidazo[1,2-a]imidazole-5,6-dione, 2,3-dihydro-1-(phenylmethyl)-
CAS No: 828931-75-5 Catalog No: AG008HSK MDL No:
Product Description
Catalog Number:
AG008HSK
Chemical Name:
1H-Imidazo[1,2-a]imidazole-5,6-dione, 2,3-dihydro-1-(phenylmethyl)-
CAS Number:
828931-75-5
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
1-benzyl-2,3-dihydroimidazo[1,2-a]imidazole-5,6-dione
InChI:
InChI=1S/C12H11N3O2/c16-10-11(17)15-7-6-14(12(15)13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
PCRGAVZBRYTABH-UHFFFAOYSA-N
SMILES:
O=C1N=C2N(C1=O)CCN2Cc1ccccc1
Properties
Complexity:
385
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:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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