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28889-54-5 | Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1-methyl-
CAS No: 28889-54-5 Catalog No: AG002WZ8 MDL No:
Product Description
Catalog Number:
AG002WZ8
Chemical Name:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1-methyl-
CAS Number:
28889-54-5
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
IUPAC Name:
4-methyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C5H8N4O2/c1-9-3-2(7-5(9)11)6-4(10)8-3/h2-3H,1H3,(H,7,11)(H2,6,8,10)
InChI Key:
FSEXTLBCZZWLNH-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)N(C(=O)N2)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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