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163120-50-1 | 4H-Imidazo[1,5,4-de]quinoxalin-2(1H)-one, 5,6-dihydro-
CAS No: 163120-50-1 Catalog No: AG001TS0 MDL No:
Product Description
Catalog Number:
AG001TS0
Chemical Name:
4H-Imidazo[1,5,4-de]quinoxalin-2(1H)-one, 5,6-dihydro-
CAS Number:
163120-50-1
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
InChI:
InChI=1S/C9H9N3O/c13-9-11-7-3-1-2-6-8(7)12(9)5-4-10-6/h1-3,10H,4-5H2,(H,11,13)
InChI Key:
FIEAOHXEXPYUCR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c3n1CCNc3ccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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