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4-Nitropyridine N-oxide

CAT: 0024-sc-226765Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226765Size:25 g
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CAS Number
1124-33-0

Chemical Information

4-Nitropyridine N-oxide

Pyridine, 4-nitro-, 1-oxide is a solid. (EPA, 1998)

CAS Number1124-33-0
PubChem CID14300
IUPAC Name4-nitro-1-oxidopyridin-1-ium
Molecular FormulaC5H4N2O3
Molecular Weight140.10
XLogP-0.6
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity125
SMILES
C1=C[N+](=CC=C1[N+](=O)[O-])[O-]
InChI
InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey
RXKNNAKAVAHBNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitropyridine N-oxide
CAS: 1124-33-0
CID: 14300
Formula: C5H4N2O3
MW: 140.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight140.10
XLogP3-0.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass140.02219199
Monoisotopic Mass140.02219199
Topological Polar Surface Area71.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes