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27808-52-2 | [1,2,5]Oxadiazolo[3,4-b]pyridine, 1-oxide
CAS No: 27808-52-2 Catalog No: AG002UTJ MDL No:MFCD09836155
Product Description
Catalog Number:
AG002UTJ
Chemical Name:
[1,2,5]Oxadiazolo[3,4-b]pyridine, 1-oxide
CAS Number:
27808-52-2
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
MDL Number:
MFCD09836155
IUPAC Name:
1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
InChI:
InChI=1S/C5H3N3O2/c9-8-4-2-1-3-6-5(4)7-10-8/h1-3H
InChI Key:
WNDRODGYCYTLBX-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc2c1cccn2
NSC Number:
158910
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
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