AG001VCF

16078-34-5 | Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-

AG001VCF

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CAS Number	16078-34-5
Catalog Number	AG001VCF(AGN-PC-0JNRC3)
Chemical Name	Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-
IUPAC Name	1-(2,3-dihydro-1H-indol-5-yl)ethanone
InChI	InChI=1S/C10H11NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-3,6,11H,4-5H2,1H3
InChI Key	GYMZRGMAWRJZPV-UHFFFAOYSA-N
MDL Number	MFCD00090836
Molecular Formula	C10H11NO
Molecular Weight	161.2004
NSC Number	75568
SMILES	CC(C1=CC2=C(NCC2)C=C1)=O
Synonyms	16078-34-5, 5-Acetylindoline, 1-(Indolin-5-yl)ethanone, 1-(2,3-Dihydro-1H-indol-5-yl)-ethanone, 1-(2,3-dihydro-1H-indol-5-yl)ethanone, MLS002693948, Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)-, 5-Acetyl-2,3-dihydro-1H-indole, Ethanone,1-(2,3-dihydro-1H-indol-5-yl)-, NSC75568, AC1L5NGI, AC1Q5DOG, 1-(5-Indolinyl)ethanone, NCIOpen2_000552, 5-Acetyl-2,3-dihydroindole, SCHEMBL2610325, CHEMBL1883341, CTK4D0573, WLN: T56 BMT&J GV1, GYMZRGMAWRJZPV-UHFFFAOYSA-N, HMS3088A21, ZINC1701691, 8115AA, ANW-71964, BBL012012, MFCD00090836, NSC-75568, SBB010429, STK802723, AKOS000112110, Ethanone,3-dihydro-1H-indol-5-yl)-, CA-1700, MCULE-7304651735, TRA0074574, AJ-30510, AS-48887, BAS 07664732, CJ-06696, DA-16973, SMR000735474, SY079649, ST2403264, TR-006832, 4CH-018648, BB 0238587, CS-0085493, FT-0677903, ST50342119, MFCD00090836 (95%), W-6455, A810182, A1-02188, I10-1371, Indoline, 5-acetyl-, C10H11NO, KETONE, 5-INDOLINYL METHYL, C10-H11-N-O, EINECS 240-223-2, AR-1G6960, CID253117, NSC 75568, BRN 0131199, 1-(2,3-Dihydro-1H-indol-5-yl)ethan-1-one, AI3-52427, 4-21-00-03670 (Beilstein Handbook Reference), Ethanone, 1-(2,3-dihydro-1H-indol-5-yl)- (9CI), 52107-46-7, 96657-96-4,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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