AG003915

53330-94-2 | 1-(1H-Indol-5-yl)ethanone

AG003915

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CAS Number	53330-94-2
Catalog Number	AG003915(AGN-PC-0JKROC)
Chemical Name	1-(1H-Indol-5-yl)ethanone
IUPAC Name	1-(1H-indol-5-yl)ethanone
InChI	InChI=1S/C10H9NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-6,11H,1H3
InChI Key	GOFIUEUUROFVMA-UHFFFAOYSA-N
MDL Number	MFCD00481875
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	N1C=CC2=CC(=CC=C12)C(C)=O
Synonyms	1-(1H-indol-5-yl)ethanone, 53330-94-2, 5-Acetylindole, 1-(1H-Indol-5-yl)-ethanone, Ethanone, 1-(1H-indol-5-yl)-, KETONE, INDOL-5-YL METHYL, 5-acetyl-1h-indole, 1-(1H-Indol-5-yl)ethan-1-one, Acetyl-5-indole [French], BRN 0118713, AK105161, A-1385, A1-00015, Acetyl-5-indole, 5-Indolyl-methylketone, AC1L24CV, 5-21-08-00303 (Beilstein Handbook Reference), SCHEMBL120471, CTK5J9712, DTXSID70201481, GOFIUEUUROFVMA-UHFFFAOYSA-N, ALBB-022742, KS-00000L4Q, ZINC2004636, ZX-AN021258, ZX-AT022115, ANW-70724, CA-717, FCH917788, MFCD00481875, OR8356, STL388001, AKOS006229381, AC-6291, GS-5461, MCULE-2333928941, RP02087, AJ-32447, AN-10153, BC642698, CJ-30990, LS-87254, SC-26363, AB0041583, AX8041768, DB-031785, TC-061107, CS-0031407, FT-0694256, ST24036989, Y9359, A-8974, A19405, 330A942, I14-13751, I14-15933, F9995-2703, C10H9NO, 1-(1H-Indol-5-yl)-ethanone?, C10-H9-N-O, CID40732, ACN-038742, A7764, 1-[2-(1h-indol-3-yl)ethyl]piperidin-4-amine, 35633-77-3,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

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