Ethyl 2-(4-Oxocyclohexyl)butanoate - CAS 1923824-52-5

Catalog:	BB014875
Product Name:	Ethyl 2-(4-Oxocyclohexyl)butanoate
CAS:	1923824-52-5
Synonyms:	2-(4-oxocyclohexyl)butanoic acid ethyl ester; ethyl 2-(4-oxocyclohexyl)butanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(4-oxocyclohexyl)butanoate
Description:	Ethyl 2-(4-Oxocyclohexyl)butanoate (CAS# 1923824-52-5 ) is a useful research chemical.
Molecular Weight:	212.29
Molecular Formula:	C12H20O3
Canonical SMILES:	CCC(C1CCC(=O)CC1)C(=O)OCC
InChI:	InChI=1S/C12H20O3/c1-3-11(12(14)15-4-2)9-5-7-10(13)8-6-9/h9,11H,3-8H2,1-2H3
InChI Key:	OWBCTQKZGGTHRG-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3503891-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20160826
WO-2018039512-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20160826
US-2021290613-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20160826
EP-3452029-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20160504
US-10544099-B2	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20160504

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.1412445
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.1412445
Rotatable Bond Count:	5
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8