Ethyl 3-Cyclopentyl-3-oxopropanoate - CAS 24922-00-7

Catalog:	BB018665
Product Name:	Ethyl 3-Cyclopentyl-3-oxopropanoate
CAS:	24922-00-7
Synonyms:	3-cyclopentyl-3-oxopropanoic acid ethyl ester; ethyl 3-cyclopentyl-3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-cyclopentyl-3-oxopropanoate
Description:	Ethyl 3-Cyclopentyl-3-oxopropanoate (CAS# 24922-00-7) is a useful research chemical.
Molecular Weight:	184.23
Molecular Formula:	C10H16O3
Canonical SMILES:	CCOC(=O)CC(=O)C1CCCC1
InChI:	InChI=1S/C10H16O3/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8H,2-7H2,1H3
InChI Key:	MUDKQMLLCRJCEY-UHFFFAOYSA-N
LogP:	1.69890

Publication Number	Title	Priority Date
WO-2021119081-A1	Hepatitis b capsid assembly modulators	20191210
US-2021032196-A1	Alcohol derivatives as kv7 potassium channel openers	20190802
WO-2021023617-A1	Alcohol derivatives as kv7 potassium channel openers	20190802
CN-109651343-B	Fipronil pyrazole alcohol cyclic imide compound and microwave hydrothermal method and application thereof	20190107
JP-WO2018105237-A1	Method for producing trioxopropane compound	20161205

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.109944368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9