Ethyl 2-(2-Oxocyclopentyl)acetate - CAS 20826-94-2

Catalog:	BB016337
Product Name:	Ethyl 2-(2-Oxocyclopentyl)acetate
CAS:	20826-94-2
Synonyms:	2-(2-oxocyclopentyl)acetic acid ethyl ester; ethyl 2-(2-oxocyclopentyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(2-oxocyclopentyl)acetate
Description:	Ethyl 2-(2-Oxocyclopentyl)acetate (CAS# 20826-94-2) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C9H14O3
Canonical SMILES:	CCOC(=O)CC1CCCC1=O
InChI:	InChI=1S/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3
InChI Key:	PJMKFKUFBDXYEC-UHFFFAOYSA-N
Boiling Point:	245.4 °C at 760 mmHg.
Density:	1.068 g/cm³
MDL:	MFCD00044715
LogP:	1.30880

Publication Number	Title	Priority Date
CN-111253246-A	Acyl acid derivative and preparation method and medical application thereof	20200316
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
WO-2020060915-A1	Cyclopentyl acids as lpa antagonists	20180918
CN-113473985-A	Cyclopentanoic acid as LPA antagonist	20180918
EP-3852746-A1	Cyclopentyl acids as lpa antagonists	20180918

PMID	Publication Date	Title	Journal
20151655	20100319	2,3-Bis(phenylsulfonyl)-1,3-butadiene as a reagent for the synthesis of the azatricyclic core of (+/-)-halichlorine	The Journal of organic chemistry
15660439	20050201	Rigid nonproteinogenic cyclic amino acids as ligands for glutamate receptors: trans-tris(homoglutamic) acids	Chirality

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.094294304
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4 ?²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6