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16206-22-7 | [1,2,5]Oxadiazolo[3,4-d]pyrimidin-7(3H)-one, 1-oxide
CAS No: 16206-22-7 Catalog No: AG001SOV MDL No:
Product Description
Catalog Number:
AG001SOV
Chemical Name:
[1,2,5]Oxadiazolo[3,4-d]pyrimidin-7(3H)-one, 1-oxide
CAS Number:
16206-22-7
Molecular Formula:
C4H2N4O3
Molecular Weight:
154.0837
IUPAC Name:
1-oxido-6H-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-7-one
InChI:
InChI=1S/C4H2N4O3/c9-4-2-3(5-1-6-4)7-11-8(2)10/h1H,(H,5,6,7,9)
InChI Key:
RFUKBLSLAIMVIH-UHFFFAOYSA-N
SMILES:
O=c1ncnc2c1[n+]([O-])o[nH]2
NSC Number:
78511
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.085g/mol
Monoisotopic Mass:
154.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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