Quinoxaline-6-carbaldehyde - CAS 130345-50-5

Catalog:	BB007088
Product Name:	Quinoxaline-6-carbaldehyde
CAS:	130345-50-5
Synonyms:	6-quinoxalinecarboxaldehyde; quinoxaline-6-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	quinoxaline-6-carbaldehyde
Description:	Quinoxaline-6-carbaldehyde (CAS# 130345-50-5) is a useful research chemical.
Molecular Weight:	158.16
Molecular Formula:	C9H6N2O
Canonical SMILES:	C1=CC2=NC=CN=C2C=C1C=O
InChI:	InChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H
InChI Key:	UGOIXUFOAODGNI-UHFFFAOYSA-N
Boiling Point:	319.8 °C at 760 mmHg
Density:	1.299 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00805834
LogP:	1.44230

Publication Number	Title	Priority Date
CN-113121541-A	Synthesis and application of fluorescent probe capable of distinguishing gold ions and palladium species simultaneously	20210317
WO-2021026245-A1	Rna-targeting ligands, compositions thereof, and methods of making and using the same	20190806
US-2020102311-A1	Monoacylglycerol Lipase Modulators	20180928
WO-2020065614-A1	Monoacylglycerol lipase modulators	20180928
CN-113164458-A	Monoacylglycerol lipase modulators	20180928

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.048012819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9