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881-64-1 | Dipyrido[1,2-b:1',2'-e][1,2,4,5]tetrazine(9CI)
CAS No: 881-64-1 Catalog No: AG004H1Y MDL No:
Product Description
Catalog Number:
AG004H1Y
Chemical Name:
Dipyrido[1,2-b:1',2'-e][1,2,4,5]tetrazine(9CI)
CAS Number:
881-64-1
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
IUPAC Name:
1,2,8,9-tetrazatricyclo[8.4.0.03,8]tetradeca-2,4,6,9,11,13-hexaene
InChI:
InChI=1S/C10H8N4/c1-3-7-13-9(5-1)11-14-8-4-2-6-10(14)12-13/h1-8H
InChI Key:
FOYHPARJNQELAD-UHFFFAOYSA-N
SMILES:
c1ccc2n(c1)nc1n(n2)cccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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