Ethyl 5-Methoxyindole-3-acetate - CAS 57000-49-4

Catalog:	BB029560
Product Name:	Ethyl 5-Methoxyindole-3-acetate
CAS:	57000-49-4
Synonyms:	2-(5-methoxy-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(5-methoxy-1H-indol-3-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(5-methoxy-1H-indol-3-yl)acetate
Description:	Ethyl 5-Methoxyindole-3-acetate (CAS# 57000-49-4 ) is a useful research chemical.
Molecular Weight:	233.26
Molecular Formula:	C13H15NO3
Canonical SMILES:	CCOC(=O)CC1=CNC2=C1C=C(C=C2)OC
InChI:	InChI=1S/C13H15NO3/c1-3-17-13(15)6-9-8-14-12-5-4-10(16-2)7-11(9)12/h4-5,7-8,14H,3,6H2,1-2H3
InChI Key:	BKLVSUXXCBDUBQ-UHFFFAOYSA-N
LogP:	2.28210

Publication Number	Title	Priority Date
EP-3636642-A1	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607
US-2020095271-A1	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607
WO-2018223819-A1	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607
JP-2020522579-A	Indole acetic acid derivative, its production method and pharmaceutical use	20170607
US-11008360-B2	Indoleacetic acid derivative and preparation method and pharmaceutical use thereof	20170607

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Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.10519334
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.10519334
Rotatable Bond Count:	5
Topological Polar Surface Area:	51.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2