Ethyl 2-(5-Methyl-3-indolyl)acetate - CAS 91957-21-0

Catalog:	BB040393
Product Name:	Ethyl 2-(5-Methyl-3-indolyl)acetate
CAS:	91957-21-0
Synonyms:	2-(5-methyl-1H-indol-3-yl)acetic acid ethyl ester; ethyl 2-(5-methyl-1H-indol-3-yl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(5-methyl-1H-indol-3-yl)acetate
Description:	Ethyl 2-(5-Methyl-3-indolyl)acetate (CAS# 91957-21-0 ) is a useful research chemical.
Molecular Weight:	217.26
Molecular Formula:	C13H15NO2
Canonical SMILES:	CCOC(=O)CC1=CNC2=C1C=C(C=C2)C
InChI:	InChI=1S/C13H15NO2/c1-3-16-13(15)7-10-8-14-12-5-4-9(2)6-11(10)12/h4-6,8,14H,3,7H2,1-2H3
InChI Key:	UEHMEXFLEBAALN-UHFFFAOYSA-N
LogP:	2.58190

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
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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Carbonyl Compounds

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.110278721
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.110278721
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5