AG00G411

81223-73-6 | Ethanone, 1-(1H-indol-6-yl)- (9CI)

AG00G411

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CAS Number	81223-73-6
Catalog Number	AG00G411(AGN-PC-00K42N)
Chemical Name	Ethanone, 1-(1H-indol-6-yl)- (9CI)
IUPAC Name	1-(1H-indol-6-yl)ethanone
InChI	InChI=1S/C10H9NO/c1-7(12)9-3-2-8-4-5-11-10(8)6-9/h2-6,11H,1H3
InChI Key	MVLKLQSCKJWWLP-UHFFFAOYSA-N
MDL Number	MFCD09035921
Molecular Formula	C10H9NO
Molecular Weight	159.1846
SMILES	N1C=CC2=CC=C(C=C12)C(C)=O
Synonyms	6-Acetylindole, 1-(1H-indol-6-yl)ethanone, 81223-73-6, 1-(1H-indol-6-yl)-ethanone, 1-(1H-INDOL-6-YL)ETHAN-1-ONE, Ethanone, 1-(1H-indol-6-yl)-, 1-indol-6-yl-ethanone;6-Acetylindole, 6-acetyl indole, 6-Acetyl-1H-indole, PubChem16447, Ethanone, 1-(1H-indol-6-yl)- (9CI), SCHEMBL121922, DTXSID70513132, MVLKLQSCKJWWLP-UHFFFAOYSA-N, 1-(1H-INDOL-6-YL)ETHANON, 2614AC, MFCD09035921, ZINC20297212, AKOS004118004, AS06043, CM13588, FCH1119099, LS20042, AJ-76984, AK109973, AS-33203, AX8227914, DB-075747, CS-0060852, FT-0770103, A26624, C10H9NO,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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