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111886-16-9 | Benzo[1,2-d:4,5-d']diimidazole-4,8(1H,5H)-dione(9CI)
CAS No: 111886-16-9 Catalog No: AG007DG0 MDL No:
Product Description
Catalog Number:
AG007DG0
Chemical Name:
Benzo[1,2-d:4,5-d']diimidazole-4,8(1H,5H)-dione(9CI)
CAS Number:
111886-16-9
Molecular Formula:
C8H4N4O2
Molecular Weight:
188.1430
IUPAC Name:
3,5-dihydroimidazo[4,5-f]benzimidazole-4,8-dione
InChI:
InChI=1S/C8H4N4O2/c13-7-3-4(10-1-9-3)8(14)6-5(7)11-2-12-6/h1-2H,(H,9,10)(H,11,12)
InChI Key:
PNBDXKUYTMQOMX-UHFFFAOYSA-N
SMILES:
O=c1c2[nH]cnc2c(=O)c2c1nc[nH]2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.146g/mol
Monoisotopic Mass:
188.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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