AG002ADV

205873-58-1 | 1H-Indole-7-carboxylic acid, ethyl ester

AG002ADV

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CAS Number	205873-58-1
Catalog Number	AG002ADV(AGN-PC-02K2S7)
Chemical Name	1H-Indole-7-carboxylic acid, ethyl ester
IUPAC Name	ethyl 1H-indole-7-carboxylate
InChI	InChI=1S/C11H11NO2/c1-2-14-11(13)9-5-3-4-8-6-7-12-10(8)9/h3-7,12H,2H2,1H3
InChI Key	WZXGOHXFXHUJLR-UHFFFAOYSA-N
MDL Number	MFCD00238711
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O=C(C1=CC=CC2=C1NC=C2)OCC
Synonyms	ethyl 1H-indole-7-carboxylate, 205873-58-1, Indole-7-carboxylic acid ethyl ester, Ethyl indole-7-carboxylate, Indole-7-carboxylicacidethylester, SCHEMBL2885005, CTK1A1514, DTXSID20599906, WZXGOHXFXHUJLR-UHFFFAOYSA-N, ACN-S002812, BCP08726, KS-00000P9D, ZINC2561283, ANW-53913, CE-095, MFCD00238711, AKOS006272499, DS-0943, FS-3567, MP-0675, RD-0160, AC-22709, AJ-40698, AK-72733, AN-29777, CJ-09585, 1H-Indole-7-carboxylic acid, ethyl ester, AB0009817, TC-142658, 4CH-010977, A4475, FT-0659467, ST24024784, indole-7-carboxylic acid ethyl ester, AldrichCPR, 873I581, I10-0350, J-521534, ACN-037774, 1H-Indole-7-carboxylic acid, ethyl ester (9CI),

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	2.3

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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