AG003N1X

73013-68-0 | 6-Acetylquinoline

AG003N1X

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CAS Number	73013-68-0
Catalog Number	AG003N1X(AGN-PC-0JNUVB)
Chemical Name	6-Acetylquinoline
IUPAC Name	1-quinolin-6-ylethanone
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
MDL Number	MFCD00047614
Molecular Formula	C11H9NO
Molecular Weight	171.1953
NSC Number	87613
SMILES	CC(C1=CC=C2N=CC=CC2=C1)=O
Synonyms	6-ACETYLQUINOLINE, 1-(quinolin-6-yl)ethanone, 73013-68-0, 1-quinolin-6-ylethanone, Ethanone, 1-(6-quinolinyl)-, 1-(quinolin-6-yl)ethan-1-one, NSC87613, AC1Q5EMM, 1-quinolin-6-yl-ethanone, AC1L5Z7A, NCIOpen2_000994, SCHEMBL359531, DTXSID40293171, GBYIZWZRYFGYDE-UHFFFAOYSA-N, KS-00000C0L, 3400AJ, MFCD00047614, NSC-87613, ZINC13283419, AKOS009429487, GS-5492, AJ-63572, CJ-14340, SC-29411, SY006186, DB-055715, TC-276678, CS-0060853, FT-0641439, Z-3974, MFCD00047614 (97+%), I08-0516, C11H9NO, KST-1B9431, AR-1B3302, CID258559, 95013-41-5,

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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number