6-Acetylquinoline - CAS 73013-68-0

Catalog:	BB034740
Product Name:	6-Acetylquinoline
CAS:	73013-68-0
Synonyms:	1-(6-quinolinyl)ethanone; 1-quinolin-6-ylethanone

Technical Data

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Computed Properties

IUPAC Name:	1-quinolin-6-ylethanone
Description:	6-Acetylquinoline (CAS# 73013-68-0) is a useful research chemical.
Molecular Weight:	171.20
Molecular Formula:	C11H9NO
Canonical SMILES:	CC(=O)C1=CC2=C(C=C1)N=CC=C2
InChI:	InChI=1S/C11H9NO/c1-8(13)9-4-5-11-10(7-9)3-2-6-12-11/h2-7H,1H3
InChI Key:	GBYIZWZRYFGYDE-UHFFFAOYSA-N
Boiling Point:	315.2 °C at 760 mmHg
Density:	1.154 g/cm³
LogP:	2.43740

Publication Number	Title	Priority Date
CN-112479998-A	Dihydroquinoline fluorescent probe and preparation method and application thereof	20201116
CN-111925368-A	Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection	20200704
US-2019337987-A1	Exon skipping by peptide nucleic acid derivatives	20161230
CN-110214136-A	Pyrazole derivatives as MALT1 inhibitor	20161221
WO-2018069764-A1	Hif 1-alpha antisense oligonucleotides	20161011

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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:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.068413911
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6