AG00AP5P

18450-27-6 | 3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

AG00AP5P

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CAS Number	18450-27-6
Catalog Number	AG00AP5P(AGN-PC-0LMRKC)
Chemical Name	3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
IUPAC Name	ethyl 3-formyl-1H-indole-2-carboxylate
InChI	InChI=1S/C12H11NO3/c1-2-16-12(15)11-9(7-14)8-5-3-4-6-10(8)13-11/h3-7,13H,2H2,1H3
InChI Key	UHTMDXSOGQARCU-UHFFFAOYSA-N
MDL Number	MFCD01463252
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
SMILES	C(=O)c1c2c([nH]c1C(=O)OCC)cccc2
Synonyms	ethyl 3-formyl-1H-indole-2-carboxylate, 18450-27-6, 3-Formyl-1H-indole-2-carboxylic acid ethyl ester, ethyl 3-formylindole-2-carboxylate, AE-473/30088022, ethylformylindolecarboxylate, Oprea1_266872, 1H-Indole-2-carboxylic acid, 3-formyl-, ethyl ester, AC1NO612, SCHEMBL3198815, 2-ethoxycarbonyl-3-formylindole, CTK4D8749, DTXSID50408416, UHTMDXSOGQARCU-UHFFFAOYSA-N, ZINC215825, IAE-0076, KS-000021WR, ZX-BK000719, 9649AA, ANW-56852, BBL020146, MFCD01463252, SBB095400, STK885529, AKOS001476060, AB-0014, MCULE-5194191930, RP12558, ACM18450276, AJ-17985, SC-62791, SY226651, ZB009555, AX8087037, BB0220516, TR-008515, BB 0220516, FT-0680766, MFCD01463252 (95%), C-4180, F57011, 1H-Indole-2-carboxylicacid,3-formyl-,ethyl ester, SR-01000143881, 1H-Indole-2-carboxylicacid, 3-formyl-, ethyl ester, I10-1136, J-520876, SR-01000143881-1, 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-, ETHYL ESTER, 1H-INDOLE-2-CARBOXYLIC ACID,3-FORMYL-,ETHYL ESTER, C12H11NO3, ZINC00215825, CID5107764,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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