Kynurenic acid

CAT: 0024-sc-202683BSize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-202683BSize:5 g

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CAS Number

492-27-3

Chemical Information

Kynurenic Acid

Kynurenic acid is a quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. It has a role as a nicotinic antagonist, a NMDA receptor antagonist, a neuroprotective agent, a G-protein-coupled receptor agonist, a Saccharomyces cerevisiae metabolite and a human metabolite. It is a quinolinemonocarboxylic acid and a monohydroxyquinoline. It is a conjugate acid of a kynurenate.

CAS Number	492-27-3
PubChem CID	3845
IUPAC Name	4-oxo-1H-quinoline-2-carboxylic acid
Molecular Formula	C10H7NO3
Molecular Weight	189.17
XLogP	1.3
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	308

SMILES

C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)

InChIKey

HCZHHEIFKROPDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 492-27-3

CID: 3845

Formula: C10H7NO3

MW: 189.17

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	189.17
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	189.042593085
Monoisotopic Mass	189.042593085
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
M18648-01	Kynurenic acid
HY-107512-01	Kynurenic acid (sodium)

Kynurenic acid

Chemical Information

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