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141945-42-8 | [1,2,5]Oxadiazolo[3,4-c]quinolin-4(5H)-one, 5-methyl-, 3-oxide
CAS No: 141945-42-8 Catalog No: AG001HFG MDL No:
Product Description
Catalog Number:
AG001HFG
Chemical Name:
[1,2,5]Oxadiazolo[3,4-c]quinolin-4(5H)-one, 5-methyl-, 3-oxide
CAS Number:
141945-42-8
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one
InChI:
InChI=1S/C10H7N3O3/c1-12-7-5-3-2-4-6(7)8-9(10(12)14)13(15)16-11-8/h2-5H,1H3
InChI Key:
PWURDIDMPKBPSL-UHFFFAOYSA-N
SMILES:
[O-][n+]1onc2c1c(=O)n(c1c2cccc1)C
NSC Number:
681278
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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