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Home > Imidazoles > 144095-76-1
144095-76-1 | Imidazo[4,5-d]imidazole, 1,3-diacetyloctahydro-4,6-dinitro- (9CI)
CAS No: 144095-76-1 Catalog No: AG001IW8 MDL No:
Product Description
Catalog Number:
AG001IW8
Chemical Name:
Imidazo[4,5-d]imidazole, 1,3-diacetyloctahydro-4,6-dinitro- (9CI)
CAS Number:
144095-76-1
Molecular Formula:
C8H12N6O6
Molecular Weight:
288.2175
IUPAC Name:
1-(3-acetyl-4,6-dinitro-2,3a,5,6a-tetrahydroimidazo[4,5-d]imidazol-1-yl)ethanone
InChI:
InChI=1S/C8H12N6O6/c1-5(15)9-3-10(6(2)16)8-7(9)11(13(17)18)4-12(8)14(19)20/h7-8H,3-4H2,1-2H3
InChI Key:
QCSILNRZFSWMDP-UHFFFAOYSA-N
SMILES:
CC(=O)N1CN(C2C1N(CN2[N+](=O)[O-])[N+](=O)[O-])C(=O)C
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.22g/mol
Monoisotopic Mass:
288.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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