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Home > Imidazoles > 156945-37-8
156945-37-8 | Imidazo[4,5-d]imidazole, 1,3,4,6-tetraacetyloctahydro- (9CI)
CAS No: 156945-37-8 Catalog No: AG001P44 MDL No:
Product Description
Catalog Number:
AG001P44
Chemical Name:
Imidazo[4,5-d]imidazole, 1,3,4,6-tetraacetyloctahydro- (9CI)
CAS Number:
156945-37-8
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
IUPAC Name:
1-(3,4,6-triacetyl-2,3a,5,6a-tetrahydroimidazo[4,5-d]imidazol-1-yl)ethanone
InChI:
InChI=1S/C12H18N4O4/c1-7(17)13-5-14(8(2)18)12-11(13)15(9(3)19)6-16(12)10(4)20/h11-12H,5-6H2,1-4H3
InChI Key:
OOTHUZBCVWVLRU-UHFFFAOYSA-N
SMILES:
CC(=O)N1CN(C2C1N(CN2C(=O)C)C(=O)C)C(=O)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.3g/mol
Monoisotopic Mass:
282.133g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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