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Home > Other Heterocycles > 7078-16-2
7078-16-2 | 2,4,6,8,9-Pentaazabicyclo[3.3.1]nona-2,6-diene
CAS No: 7078-16-2 Catalog No: AG005G5T MDL No:
Product Description
Catalog Number:
AG005G5T
Chemical Name:
2,4,6,8,9-Pentaazabicyclo[3.3.1]nona-2,6-diene
CAS Number:
7078-16-2
Molecular Formula:
C4H7N5
Molecular Weight:
125.1319
IUPAC Name:
2,4,6,8,9-pentazabicyclo[3.3.1]nona-2,7-diene
InChI:
InChI=1S/C4H7N5/c1-5-3-7-2-8-4(6-1)9-3/h1-4,9H,(H,5,6)(H,7,8)
InChI Key:
FNYBUQIOLQYUFB-UHFFFAOYSA-N
SMILES:
N1C=NC2NC1N=CN2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.07g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
125.135g/mol
Monoisotopic Mass:
125.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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