3-Acetylpyridin-2(1H)-one - CAS 62838-65-7

Catalog:	BB031839
Product Name:	3-Acetylpyridin-2(1H)-one
CAS:	62838-65-7
Synonyms:	3-acetyl-1H-pyridin-2-one; 3-acetyl-1H-pyridin-2-one

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Computed Properties

IUPAC Name:	3-acetyl-1H-pyridin-2-one
Description:	3-Acetylpyridin-2(1H)-one (CAS# 62838-65-7) is a general chemical reagent used in the synthesis of 2,3-disubstituted pyridines. Also used in the synthesis of quinolones.
Molecular Weight:	137.14
Molecular Formula:	C7H7NO2
Canonical SMILES:	CC(=O)C1=CC=CNC1=O
InChI:	InChI=1S/C7H7NO2/c1-5(9)6-3-2-4-8-7(6)10/h2-4H,1H3,(H,8,10)
InChI Key:	PYKHYSXTVOVOHV-UHFFFAOYSA-N
Boiling Point:	328.725 °C at 760 mmHg
Density:	1.218 g/cm³
MDL:	MFCD11977425
LogP:	0.57750

Publication Number	Title	Priority Date
JP-2020158465-A	mRNA maturation inhibitor	20190327
CN-106588765-A	Method for hydroxylation of nitrogen oxide C2-position	20160906
KR-101947402-B1	POLYMER PARTICLE, METHOD FOR PRODUCING POLYMER PARTICLE	20150331
KR-20170131539-A	POLYMER PARTICLE, METHOD FOR PRODUCING POLYMER PARTICLE	20150331
AU-2012217616-A1	Chroman - spirocyclic piperidine amides as modulators of ion channels	20110218

PMID	Publication Date	Title	Journal
20559489	20100429	Application of spectroscopic methods for structural analysis of chitin and chitosan	Marine drugs

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GHS Hazard Statement:	H302 (100%): 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:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.047678466
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1