3-Hydroxy-2-quinoxalinecarboxylic acid - CAS 1204-75-7

Catalog:	BB004884
Product Name:	3-Hydroxy-2-quinoxalinecarboxylic acid
CAS:	1204-75-7
Synonyms:	3-oxo-4H-quinoxaline-2-carboxylic acid

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	3-oxo-4H-quinoxaline-2-carboxylic acid
Description:	3-Hydroxy-2-quinoxalinecarboxylic acid (CAS# 1204-75-7) is a useful research chemical.
Molecular Weight:	190.16
Molecular Formula:	C9H6N2O3
Canonical SMILES:	C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)O
InChI:	InChI=1S/C9H6N2O3/c12-8-7(9(13)14)10-5-3-1-2-4-6(5)11-8/h1-4H,(H,11,12)(H,13,14)
InChI Key:	NMOWGWOAPRKWIR-UHFFFAOYSA-N
Boiling Point:	432.4 °C at 760 mmHg
Melting Point:	267-268 °C (lit.)
Purity:	95 %
Density:	1.56 g/cm³
Appearance:	Green-yellow powder and chunks
MDL:	MFCD00006726
LogP:	1.03360

Publication Number	Title	Priority Date
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
KR-102230604-B1	Method of manufacturing light-sensitive photochromic device and the device thereof	20190507
KR-20200128795-A	Method of manufacturing light-sensitive photochromic device and the device thereof	20190507
JP-2020069686-A	Breathable waterproof sheet and manufacturing method thereof	20181030
CN-111106342-A	Lithium battery	20181026

PMID	Publication Date	Title	Journal
20148216	20100227	Excited state intramolecular proton transfer (ESIPT) in six-coordinated zinc(ii)-quinoxaline complexes with ligand hydrogen bonds: their fluorescent properties sensitive to axial positions	Dalton transactions (Cambridge, England : 2003)
17478894	20070501	trans-Bis(dimethyl sulfoxide-kappaO)bis(3-oxo-3,4-dihydroquinoxaline-2-carboxylato-kappa2N1,O2)copper(II)	Acta crystallographica. Section C, Crystal structure communications
2872934	19860514	Absence of side-effects in the anticonvulsant action of cortically applied antagonists of N-methyl-D-aspartate	Brain research

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Related Functional Groups

Quinoxalines

[6627-38-9]
6,7-Dimethyl-2,3-di(2-pyridyl)quinoxaline
[2379-56-8]
6-Nitro-2,3-dihydroxyquinoxaline
[15804-19-0]
2,3-Dihydroxyquinoxaline
[36856-91-4]
2-Bromoquinoxaline
[32601-86-8]
2-Chloro-3-methylquinoxaline
[1360599-43-4]
5-Bromo-8-methylquinoxaline

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.03784206
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	190.03784206
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2