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Sodium Isonicotinate

CAT: 0024-sc-485260Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485260Size:25 g
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CAS Number
16887-79-9

Chemical Information

Sodium Isonicotinate
CAS Number16887-79-9
PubChem CID23662338
IUPAC Namesodium pyridine-4-carboxylate
Molecular FormulaC6H4NNaO2
Molecular Weight145.09
Topological Polar Surface Area53
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
C1=CN=CC=C1C(=O)[O-].[Na+]
InChI
InChI=1S/C6H5NO2.Na/c8-6(9)5-1-3-7-4-2-5;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
PVXCGWNPDFFPOV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Isonicotinate
CAS: 16887-79-9
CID: 23662338
Formula: C6H4NNaO2
MW: 145.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.09
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass145.01397265
Monoisotopic Mass145.01397265
Topological Polar Surface Area53 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
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

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