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8-Hydroxyquinoline N-Oxide

CAT: 0024-sc-210689Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-210689Size:5 g
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CAS Number
1127-45-3

Chemical Information

8-Hydroxyquinoline N-oxide

8-hydroxyquinoline N-oxide is a quinoline N-oxide carrying a hydroxy substituent at position 8. It is a quinoline N-oxide and a monohydroxyquinoline. It is functionally related to a quinolin-8-ol. It is a conjugate acid of an 8-hydroxyquinoline N-oxide(1-).

CAS Number1127-45-3
PubChem CID14312
IUPAC Name1-oxidoquinolin-1-ium-8-ol
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP0.4
Topological Polar Surface Area45.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-]
InChI
InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChIKey
FJKUOCCQEBLPNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyquinoline N-oxide
CAS: 1127-45-3
CID: 14312
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area45.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
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

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