Ethyl 5-Methoxyindole-3-carboxylate - CAS 59292-36-3

Catalog:	BB030331
Product Name:	Ethyl 5-Methoxyindole-3-carboxylate
CAS:	59292-36-3
Synonyms:	5-methoxy-1H-indole-3-carboxylic acid ethyl ester; ethyl 5-methoxy-1H-indole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-methoxy-1H-indole-3-carboxylate
Description:	Ethyl 5-Methoxyindole-3-carboxylate (CAS# 59292-36-3 ) is a useful research chemical.
Molecular Weight:	219.24
Molecular Formula:	C12H13NO3
Canonical SMILES:	CCOC(=O)C1=CNC2=C1C=C(C=C2)OC
InChI:	InChI=1S/C12H13NO3/c1-3-16-12(14)10-7-13-11-5-4-8(15-2)6-9(10)11/h4-7,13H,3H2,1-2H3
InChI Key:	JCFBDEMCPUONPI-UHFFFAOYSA-N
Boiling Point:	380.2 °C at 760 mmHg
Density:	1.216 g/cm³
MDL:	MFCD06204308
LogP:	2.35320

Publication Number	Title	Priority Date
EP-2213660-A1	5-substituted indol-3-carboxylic acid derivatives exhibiting antiviral activity a method for the production and use thereof	20071031
WO-2007058504-A1	Novel compounds as agonist for ppar gamma and ppar alpha, method for preparation of the same, and pharmaceutical composition containing the same	20051121
EP-1476151-A1	1-arylsulfonyl-3-substitued indole and indoline derivates useful in the treatment of central nervous system disorders	20020212
EP-1476151-B1	1-arylsulfonyl-3-substitued indole and indoline derivates useful in the treatment of central nervous system disorders	20020212
JP-2005526033-A	1-arylsulfonyl-3-substituted indoles and indoline derivatives useful in the treatment of central nervous system diseases	20020212

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Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.08954328
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.08954328
Rotatable Bond Count:	4
Topological Polar Surface Area:	51.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3