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2-Carboxypyridine 1-Oxide

CAT: 1299-RG-C011805-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-C011805-01Size:10 mg
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CAS Number
824-40-8
Synonyms
2-carboxypyridine 1-oxide
Molecular Formula
C6H5NO3
Molecular Weight
139.11
Product Name Synonym
2-carboxypyridine 1-oxide

Chemical Information

Pyridine-2-carboxylic acid 1-oxide

Picolinic acid N-oxide is a member of pyridines and an aromatic carboxylic acid.

CAS Number824-40-8
PubChem CID69986
IUPAC Name1-oxidopyridin-1-ium-2-carboxylic acid
Molecular FormulaC6H5NO3
Molecular Weight139.11
XLogP0.3
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity137
SMILES
C1=CC=[N+](C(=C1)C(=O)O)[O-]
InChI
InChI=1S/C6H5NO3/c8-6(9)5-3-1-2-4-7(5)10/h1-4H,(H,8,9)
InChIKey
FHYMLBVGNFVFBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridine-2-carboxylic acid 1-oxide
CAS: 824-40-8
CID: 69986
Formula: C6H5NO3
MW: 139.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.11
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.026943022
Monoisotopic Mass139.026943022
Topological Polar Surface Area62.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity137
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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