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3-Hydroxypyridine, sodium salt

CAT: 0127-OR8242Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
52536-09-1
MDL Number
MFCD00078091
Purity
≥95%
Smiles
[Na+].[O-]c1cccnc1

Chemical Information

Sodium pyridin-3-olate
CAS Number52536-09-1
PubChem CID2723769
IUPAC Namesodium pyridin-3-olate
Molecular FormulaC5H4NNaO
Molecular Weight117.08
Topological Polar Surface Area36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity60
SMILES
C1=CC(=CN=C1)[O-].[Na+]
InChI
InChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1
InChIKey
WHYQZPOBOBSAIS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium pyridin-3-olate
CAS: 52536-09-1
CID: 2723769
Formula: C5H4NNaO
MW: 117.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight117.08
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass117.01905803
Monoisotopic Mass117.01905803
Topological Polar Surface Area36 Ų
Heavy Atom Count8
Formal Charge0
Complexity60.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes