AG00DACT

50614-84-1 | Ethyl 1H-indole-4-carboxylate

AG00DACT

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CAS Number	50614-84-1
Catalog Number	AG00DACT(AGN-PC-0JTNQY)
Chemical Name	Ethyl 1H-indole-4-carboxylate
IUPAC Name	ethyl 1H-indole-4-carboxylate
InChI	InChI=1S/C11H11NO2/c1-2-14-11(13)9-4-3-5-10-8(9)6-7-12-10/h3-7,12H,2H2,1H3
InChI Key	ZIUDZKABRXGZFO-UHFFFAOYSA-N
MDL Number	MFCD00009738
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	O=C(OCC)C2(=C1(C(NC=C1)=CC=C2))
Synonyms	Ethyl 1H-indole-4-carboxylate, Ethyl indole-4-carboxylate, 50614-84-1, ZIUDZKABRXGZFO-UHFFFAOYSA-N, 1H-indole-4-carboxylic acid ethyl ester, Indole-4-carboxylicacidethylester, 4-ethoxycarbonyl indole, ACMC-209koc, AC1LCQQ8, SCHEMBL6417970, CTK4J2885, KS-00000PLC, DTXSID20345501, Ethyl 1H-indole-4-carboxylate #, ACN-S002855, ZINC2539264, ANW-31066, CE-092, MFCD00009738, SBB066738, AKOS015854535, FS-3325, 1H-Indole-4-carboxylicacid, ethyl ester, AC-27788, AJ-38834, AK-77718, AN-41487, BR-77718, CJ-09145, AB0008673, TR-018082, FT-0658430, ST24024783, A-5746, I10-0351, Q-102579, Ethyl1H-indole-4-carboxylate, C11H11NO2, CID605034, ACN-037771, 1H-Indole-4-carboxylic acid, ethyl ester, A7509,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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