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Home > Pyridines > 148559-90-4
148559-90-4 | Pyrido[2,3-e]-1,2,3,4-tetrazine, 1,3-dioxide
CAS No: 148559-90-4 Catalog No: AG001L0F MDL No:
Product Description
Catalog Number:
AG001L0F
Chemical Name:
Pyrido[2,3-e]-1,2,3,4-tetrazine, 1,3-dioxide
CAS Number:
148559-90-4
Molecular Formula:
C5H3N5O2
Molecular Weight:
165.1096
IUPAC Name:
1,3-dioxidopyrido[2,3-e]tetrazine-1,3-diium
InChI:
InChI=1S/C5H3N5O2/c11-9-4-2-1-3-6-5(4)7-10(12)8-9/h1-3H
InChI Key:
XMGUWHKBZYLLMY-UHFFFAOYSA-N
SMILES:
[O-][n+]1nc2ncccc2[n+](n1)[O-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.112g/mol
Monoisotopic Mass:
165.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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