AG003ITJ

33021-53-3 | 1-QUINOLIN-3-YLETHANONE

AG003ITJ

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CAS Number	33021-53-3
Catalog Number	AG003ITJ(AGN-PC-0LQ1ZE)
Chemical Name	1-QUINOLIN-3-YLETHANONE
IUPAC Name	1-quinolin-3-ylethanone
InChI	InChI=1S/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3
InChI Key	VMZYRGLKJCRGST-UHFFFAOYSA-N
MDL Number	MFCD00030698
Molecular Formula	C11H9NO
Molecular Weight	171.1953
SMILES	CC(C1=CC2=CC=CC=C2N=C1)=O
Synonyms	3-Acetylquinoline, 1-(quinolin-3-yl)ethanone, 33021-53-3, 1-quinolin-3-ylethanone, Methyl quinolinyl ketone, Ethanone, 1-(3-quinolinyl)-, MFCD00030698, 1-(3-quinolinyl)Ethanone, 3-quinolylethanone, 3-Acetyl-chinolin, AC1NRYRH, 1-Quinolin-3-yl-ethanone, SCHEMBL530761, 1-(quinolin-3-yl)ethan-1-one, CTK1B8795, DTXSID20416028, VMZYRGLKJCRGST-UHFFFAOYSA-N, KS-00000C2H, ANW-60694, ZINC26441093, AKOS010146924, RP02666, TRA0099499, AJ-82329, AS-41369, CJ-17462, SC-30991, SY011820, AB0041045, DB-068740, TC-149439, A5900, FT-0719022, Y8740, Z-4133, MFCD00030698 (97+%), I08-0497, J-503629, (S)-1-(4-CYANOPHENYL)ETHANAMINE(Hydrochloride form), F8889-9327, InChI=1/C11H9NO/c1-8(13)10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H, C11H9NO, (S)-1-(4-Cyanophenyl)ethanamine, CID5325612, 36244-70-9,

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	1.8

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