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29393-73-5 | [1,2,5]Oxadiazolo[3,4-b]pyridine, 6-methyl-, 1-oxide
CAS No: 29393-73-5 Catalog No: AG002Y95 MDL No:
Product Description
Catalog Number:
AG002Y95
Chemical Name:
[1,2,5]Oxadiazolo[3,4-b]pyridine, 6-methyl-, 1-oxide
CAS Number:
29393-73-5
Molecular Formula:
C6H5N3O2
Molecular Weight:
151.1228
IUPAC Name:
6-methyl-1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
InChI:
InChI=1S/C6H5N3O2/c1-4-2-5-6(7-3-4)8-11-9(5)10/h2-3H,1H3
InChI Key:
GPSNPAMJIMUIMY-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc2c1cc(C)cn2
NSC Number:
158911
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.125g/mol
Monoisotopic Mass:
151.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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