AG0096F8

1146576-61-5 | 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-one

AG0096F8

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CAS Number	1146576-61-5
Catalog Number	AG0096F8
Chemical Name	1-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-one
IUPAC Name	1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
InChI	InChI=1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
InChI Key	YCPXJTSSSPGZOE-UHFFFAOYSA-N
MDL Number	MFCD19689778
Molecular Formula	C11H13NO
Molecular Weight	175.2270
SMILES	N1=CC=CC=2CCCC(C12)C(C)=O
Synonyms	1146576-61-5, 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone, 8-Acetyl-5,6,7,8-tetrahydroquinoline, SCHEMBL2688968, YCPXJTSSSPGZOE-UHFFFAOYSA-N, AKOS017523539, 1-(5,6,7,8-tetrahydroquinolin-8-yl)ethan-1-one, Ethanone, 1-(5,6,7,8-tetrahydro-8-quinolinyl)-, 1-(5,6,7,8-tetrahydro-8-quinolinyl)-ethanone,

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	0
Isotope Atom Count	0
Molecular Weight	175.231g/mol
Monoisotopic Mass	175.1g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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