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209-29-0 | 4H-Imidazo[1,5,4-de]quinoxaline (8CI,9CI)
CAS No: 209-29-0 Catalog No: AG002K05 MDL No:
Product Description
Catalog Number:
AG002K05
Chemical Name:
4H-Imidazo[1,5,4-de]quinoxaline (8CI,9CI)
CAS Number:
209-29-0
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaene
InChI:
InChI=1S/C9H7N3/c1-2-7-9-8(3-1)11-6-12(9)5-4-10-7/h1-4,6H,5H2
InChI Key:
ZDIBJAWQYVATKQ-UHFFFAOYSA-N
SMILES:
c1cc2N=CCn3c2c(c1)nc3
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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