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41740-54-9 | 4H-Imidazo[1,5,4-de]quinoxaline-2,5(1H,6H)-dione(9CI)
CAS No: 41740-54-9 Catalog No: AG00CXA3 MDL No:
Product Description
Catalog Number:
AG00CXA3
Chemical Name:
4H-Imidazo[1,5,4-de]quinoxaline-2,5(1H,6H)-dione(9CI)
CAS Number:
41740-54-9
IUPAC Name:
1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,10-dione
InChI:
InChI=1S/C9H7N3O2/c13-7-4-12-8-5(10-7)2-1-3-6(8)11-9(12)14/h1-3H,4H2,(H,10,13)(H,11,14)
InChI Key:
ZMXUXZGSZLRCBY-UHFFFAOYSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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