2-Acetylpyridine - CAS 1122-62-9

Catalog:	BB002914
Product Name:	2-Acetylpyridine
CAS:	1122-62-9
Synonyms:	1-pyridin-2-ylethanone

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Computed Properties

IUPAC Name:	1-pyridin-2-ylethanone
Description:	2-Acetylpyridine (CAS# 1122-62-9) is an aroma and flavour compound present in foods.
Molecular Weight:	121.14
Molecular Formula:	C7H7NO
Canonical SMILES:	CC(=O)C1=CC=CC=N1
InChI:	InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
InChI Key:	AJKVQEKCUACUMD-UHFFFAOYSA-N
Boiling Point:	188-189 ℃
Purity:	97 %
Density:	1.08 g/cm³
Appearance:	Clear colorless to slightly brown liquid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00006303
LogP:	1.28420
Vapor Pressure:	0.37 [mmHg]

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-2020270280-A1	Organic compound, an electron transport material and an application thereof	20191227
WO-2021124114-A1	Composition including unsaturated polyester resin, epoxy resin, and photoinitiator and method of using the same	20191218
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
US-2021189039-A1	Production Method for Branched Conjugated Diene-Based Polymer, Production Method for Rubber Composition, Production Method for Tire, Branched Conjugated Diene-Based Polymer, and Branched Conjugated Diene-Based Polymer Composition	20191212

PMID	Publication Date	Title	Journal
23344786	20130201	Gallium(III) complexes with 2-acetylpyridine-derived thiosemicarbazones: antimicrobial and cytotoxic effects and investigation on the interactions with tubulin	Biometals : an international journal on the role of metal ions in biology, biochemistry, and medicine
22982389	20121201	Metal based new triazoles: their synthesis, characterization and antibacterial/antifungal activities	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
23069731	20121128	Employment of methyl 2-pyridyl ketone oxime in 3d/4f-metal chemistry: dinuclear nickel(II)/lanthanide(III) species and complexes containing the metals in separate ions	Dalton transactions (Cambridge, England : 2003)
22976983	20120901	Coordination of thiosemicarbazones and bis(thiosemicarbazones) to bismuth(III) as a strategy for the design of metal-based antibacterial agents	Chemistry & biodiversity
22808945	20120806	Accessibility and selective stabilization of the principal spin states of iron by pyridyl versus phenolic ketimines: modulation of the 6A1 ↔ 2T2 ground-state transformation of the [FeN4O2]+ chromophore	Inorganic chemistry

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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:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.052763847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9