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27808-53-3 | [1,2,5]OXADIAZOLO[3,4-B]PYRIDINE, 3-OXIDE
CAS No: 27808-53-3 Catalog No: AG002UTI MDL No:
Product Description
Catalog Number:
AG002UTI
Chemical Name:
[1,2,5]OXADIAZOLO[3,4-B]PYRIDINE, 3-OXIDE
CAS Number:
27808-53-3
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
IUPAC Name:
3-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-3-ium
InChI:
InChI=1S/C5H3N3O2/c9-8-5-4(7-10-8)2-1-3-6-5/h1-3H
InChI Key:
IVVIALUNNKYDQZ-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc2c1nccc2
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.023g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.098g/mol
Monoisotopic Mass:
137.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| [Formations and reactions of aromatic furazan compounds]. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010601 |
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