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28773-97-9 | Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,4-diacetyltetrahydro-
CAS No: 28773-97-9 Catalog No: AG002WFG MDL No:
Product Description
Catalog Number:
AG002WFG
Chemical Name:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,4-diacetyltetrahydro-
CAS Number:
28773-97-9
Molecular Formula:
C8H10N4O4
Molecular Weight:
226.1894
IUPAC Name:
3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)
InChI Key:
ZUDDCMCOKPAHPV-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=O)NC2C1NC(=O)N2C(=O)C
EC Number:
249-206-4
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.192g/mol
Monoisotopic Mass:
226.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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