AG0077W0

113961-88-9 | 1-(1,2,3,4-Tetrahydroquinolin-6-yl)ethanone

AG0077W0

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CAS Number	113961-88-9
Catalog Number	AG0077W0(AGN-PC-0N45GR)
Chemical Name	1-(1,2,3,4-Tetrahydroquinolin-6-yl)ethanone
IUPAC Name	1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
InChI	InChI=1S/C11H13NO/c1-8(13)9-4-5-11-10(7-9)3-2-6-12-11/h4-5,7,12H,2-3,6H2,1H3
InChI Key	YFNHWMNECPFUGS-UHFFFAOYSA-N
MDL Number	MFCD10007750
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	CC(C1=CC2=C(NCCC2)C=C1)=O
Synonyms	1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone, 113961-88-9, Ethanone, 1-(1,2,3,4-tetrahydro-6-quinolinyl)-, 6-acetyl-1,2,3,4-tetrahydroquinoline, AK167483, ACMC-20dqqm, SCHEMBL3096482, CTK0C8256, KS-00000SWC, DTXSID50439548, YFNHWMNECPFUGS-UHFFFAOYSA-N, CS-B1053, FCH880482, MFCD10007750, ZINC19942216, AKOS006304760, DS-9522, MCULE-1380478515, TRA0041398, BBV-38317307, AB0081563, DB-060571, RT-005908, FT-0765347, 6-ACETYLQUINOLINE, CID10419690,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.1g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.231g/mol
Monoisotopic Mass	175.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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