AG003QFH

776-41-0 | Ethyl indole-3-carboxylate

AG003QFH

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CAS Number	776-41-0
Catalog Number	AG003QFH(AGN-PC-0JOK9S)
Chemical Name	Ethyl indole-3-carboxylate
IUPAC Name	ethyl 1H-indole-3-carboxylate
InChI	InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
InChI Key	XOUHVMVYFOXTMN-UHFFFAOYSA-N
MDL Number	MFCD00228454
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
NSC Number	63796
SMILES	O=C(C1=CNC2=C1C=CC=C2)OCC
Synonyms	776-41-0, ethyl 1H-indole-3-carboxylate, Ethyl indole-3-carboxylate, Indole-3-carboxylic acid ethyl ester, 1H-indole-3-carboxylic acid ethyl ester, 1H-Indole-3-carboxylic acid, ethyl ester, MFCD00228454, NSC63796, PubChem7352, lindole-3-ethyl formate, AC1L6LEE, 3-(Ethoxycarbonyl)indole, AC1Q34CE, AC1Q34CI, NCIOpen2_000288, KSC644O3D, SCHEMBL730525, 3-Indolecarboxylicacidethylester, CTK5E4731, DTXSID70289769, XOUHVMVYFOXTMN-UHFFFAOYSA-N, Ethyl indole-3-carboxylate, 96%, ZINC335842, 3-Indolecarboxylic acid ethyl ester, ACT07014, BCP13136, ANW-46047, CE-088, KM1870, NSC 63796, NSC-63796, SBB066688, AKOS015854534, MCULE-5707116390, RD-0091, TRA0066664, VI30398, KS-0000022B, 1H-Indole-3-carboxylicacid, ethyl ester, AJ-19734, AK-81959, AN-47586, BC224110, CJ-02921, DS-16456, SC-06759, SY037991, ZB010794, DB-007577, ST2406849, TR-024797, E0955, FT-0601081, W8419, MFCD00228454 (98%), I-2430, 776I410, A839151, AN-068/14539028, I10-0206, Ethyl indole-3-carboxylate, European Pharmacopoeia (EP) Reference Standard, Ethylindole-3-carboxylate, C11H11NO2, CID247965,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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