AG00DI4A

56234-20-9 | 8-Acetylquinoline

AG00DI4A

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CAS Number	56234-20-9
Catalog Number	AG00DI4A(AGN-PC-0NI352)
Chemical Name	8-Acetylquinoline
IUPAC Name	1-quinolin-8-ylethanone
InChI	InChI=1S/C11H9NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h2-7H,1H3
InChI Key	SHVCKCOMBWIPBE-UHFFFAOYSA-N
MDL Number	MFCD00047620
Molecular Formula	C11H9NO
Molecular Weight	171.1953
SMILES	CC(C1=C2N=CC=CC2=CC=C1)=O
Synonyms	8-ACETYLQUINOLINE, 1-(quinolin-8-yl)ethanone, 56234-20-9, 1-quinolin-8-ylethanone, Quinoline-8-ethanone, 1-Quinolin-8-yl-ethanone, Ethanone,1-(8-quinolinyl)-, Ethanone, 1-(8-quinolinyl)-, SCHEMBL2632726, 1-(quinolin-8-yl)ethan-1-one, CTK5A4818, DTXSID50480515, SHVCKCOMBWIPBE-UHFFFAOYSA-N, CA-896, MFCD00047620, ZINC22016763, AKOS006272355, ACN-050206, AK501458,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.068g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.199g/mol
Monoisotopic Mass	171.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number