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Ethyl 3-Oxo-3-(2-tetrahydrofuryl)propanoate

Ethyl 3-Oxo-3-(2-tetrahydrofuryl)propanoate - CAS 887411-85-0

Catalog:	BB039171
Product Name:	Ethyl 3-Oxo-3-(2-tetrahydrofuryl)propanoate
CAS:	887411-85-0
Synonyms:	3-oxo-3-(2-oxolanyl)propanoic acid ethyl ester; ethyl 3-oxo-3-(oxolan-2-yl)propanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-oxo-3-(oxolan-2-yl)propanoate
Description:	Ethyl 3-Oxo-3-(2-tetrahydrofuryl)propanoate (CAS# 887411-85-0) is a useful research chemical.
Molecular Weight:	186.21
Molecular Formula:	C9H14O4
Canonical SMILES:	CCOC(=O)CC(=O)C1CCCO1
InChI:	InChI=1S/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
InChI Key:	DVSIOGDCWXTPTK-UHFFFAOYSA-N
Boiling Point:	268.8 °C at 760 mmHg
Density:	1.135 g/cm³
LogP:	0.68770

Publication Number	Title	Priority Date
WO-2021203007-A1	Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin	20200403
US-2018170942-A1	Polycyclic derivatives targeting ral gtpases and their therapeutical applications	20150616
WO-2016205460-A1	Polycyclic derivatives targeting ral gtpases and their therapeutical applications	20150616
AU-2015369712-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
US-10703746-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222

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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:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.08920892
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.08920892
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7