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2-Hydroxypyridine-N-oxide

CAT: 0926-FH05522-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FH05522-02Size:1 Kg
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CAS Number
13161-30-3
Synonyms
HOPO;1-Hydroxy-2-pyridone;2-Pyridinol-1-oxide; HPNO
MDL Number
MFCD00006195
Smiles
C1=CC (=O) N (C=C1) O
Molecular Formula
C5H5NO2
Molecular Weight
111.1 g/mol
Controlled
No

Chemical Information

Hydroxypyridinone

structure in first source

CAS Number13161-30-3
PubChem CID69975
IUPAC Name1-hydroxypyridin-2-one
Molecular FormulaC5H5NO2
Molecular Weight111.10
XLogP-0.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity160
SMILES
C1=CC(=O)N(C=C1)O
InChI
InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
SNUSZUYTMHKCPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxypyridinone
CAS: 13161-30-3
CID: 69975
Formula: C5H5NO2
MW: 111.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.10
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass111.032028402
Monoisotopic Mass111.032028402
Topological Polar Surface Area40.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity160
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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