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Home > Imidazoles > 496-46-8
496-46-8 | Tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS No: 496-46-8 Catalog No: AG0039UN MDL No:MFCD00005539
Product Description
Catalog Number:
AG0039UN
Chemical Name:
Tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
CAS Number:
496-46-8
Molecular Formula:
C4H6N4O2
Molecular Weight:
142.1160
MDL Number:
MFCD00005539
IUPAC Name:
1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)
InChI Key:
VPVSTMAPERLKKM-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1)NC(=O)N2
EC Number:
207-821-5
UNII:
U9H2W4OS13
NSC Number:
2765
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
142.118g/mol
Monoisotopic Mass:
142.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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