Quinoxaline-5-carboxylic Acid - CAS 6924-66-9

Catalog:	BB033744
Product Name:	Quinoxaline-5-carboxylic Acid
CAS:	6924-66-9
Synonyms:	5-quinoxalinecarboxylic acid; quinoxaline-5-carboxylic acid

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Computed Properties

IUPAC Name:	quinoxaline-5-carboxylic acid
Description:	Quinoxaline-5-carboxylic Acid (CAS# 6924-66-9) is a useful research chemical.
Molecular Weight:	174.16
Molecular Formula:	C9H6N2O2
Canonical SMILES:	C1=CC(=C2C(=C1)N=CC=N2)C(=O)O
InChI:	InChI=1S/C9H6N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,(H,12,13)
InChI Key:	QLZNISOPACYKOR-UHFFFAOYSA-N
Boiling Point:	394.8 °C at 760 mmHg
Density:	1.421 g/cm³
MDL:	MFCD02854494
LogP:	1.32800

Publication Number	Title	Priority Date
JP-2021114435-A	Non-aqueous electrolyte additive, non-aqueous electrolyte and non-aqueous electrolyte secondary battery containing it	20200121
US-2020361920-A1	Isoxazole derivatives as fxr agonists and methods of use thereof	20190513
WO-2020231917-A1	Isoxazole derivatives as fxr agonists and methods of use thereof	20190513
KR-20210081369-A	1,2,3,4-tetrahydroquinoxaline derivatives, preparation method and application thereof	20190123
CN-111377934-A	Heterocyclic compound, preparation and application thereof	20181229

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.042927438
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6