AG003LK2

5585-96-6 | 1H-Indol-4-yl acetate

AG003LK2

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CAS Number	5585-96-6
Catalog Number	AG003LK2(AGN-PC-0SJTN5)
Chemical Name	1H-Indol-4-yl acetate
IUPAC Name	1H-indol-4-yl acetate
InChI	InChI=1S/C10H9NO2/c1-7(12)13-10-4-2-3-9-8(10)5-6-11-9/h2-6,11H,1H3
InChI Key	ZXDMUHFTJWEDEF-UHFFFAOYSA-N
MDL Number	MFCD00010678
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O(C(=O)C)c1c2c(ccc1)[nH]cc2
Synonyms	4-Acetoxyindole, 5585-96-6, 1H-Indol-4-yl acetate, 4-Indolyl acetate, acetic acid 1H-indol-4-yl ester, ZXDMUHFTJWEDEF-UHFFFAOYSA-N, 4-IndolylAcetate, 4-Acetoxy indole, 4-Indoxyl acetate, PubChem7301, 4-Acetoxy-1H-indole, AC1LBJRD, ACMC-209lpw, 1H-indol-4-yl ethanoate, 4-Indolyl acetate, 99%, AC1Q61IT, 1H-Indol-4-ol,4-acetate, 1H-Indol-4-yl acetate #, SCHEMBL594038, CTK5A4289, KS-00000DHP, DTXSID70342707, ZINC409173, ACN-S003206, ANW-32418, CA-373, MFCD00010678, AKOS015837973, AB01042, AC-4398, CM10945, TRA0029728, AJ-22655, AK-82355, AN-12010, AS-31131, CJ-04167, SC-05345, SY004859, ZB013844, AB0009785, DB-052811, TR-030794, FT-0618758, ST24038282, MFCD00010678 (98%), A-0300, K-9945, 585A966, A830841, C10H9NO2, AR-1C3605, CID583934, 56338-00-2,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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