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Kynurenic acid sodium

CAT: 0013-GTR19201203-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201203-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kynurenic acid sodium
CAS Number
2439-02-3
Product Name Alternative
Kynurenic acid sodium, Kynurenic acid sodium salt
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
99.47% (May vary between batches)
Solubility
DMSO:40 mg/mL (189.44 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (9.47 mM) ; H2O:< 0.1 mg/mL (insoluble)
Smiles
O=C (C1=CC (O) =C2C=CC=CC2=N1) [O-].[Na+]
Molecular Formula
C10H6NNaO3
Molecular Weight
211.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kynurenic acid sodium salt
CAS Number2439-02-3
PubChem CID52974250
IUPAC Namesodium 4-oxo-1H-quinoline-2-carboxylate
Molecular FormulaC10H6NNaO3
Molecular Weight211.15
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity314
SMILES
C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)[O-].[Na+]
InChI
InChI=1S/C10H7NO3.Na/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;/h1-5H,(H,11,12)(H,13,14);/q;+1/p-1
InChIKey
RCAZGXKUQDXSSK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Kynurenic acid sodium salt
CAS: 2439-02-3
CID: 52974250
Formula: C10H6NNaO3
MW: 211.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.15
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass211.02453734
Monoisotopic Mass211.02453734
Topological Polar Surface Area69.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity314
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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