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Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetate

Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetate - CAS 51656-91-8

Catalog:	BB027538
Product Name:	Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetate
CAS:	51656-91-8
Synonyms:	2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetic acid ethyl ester; ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
Description:	Ethyl 2-(1,4-Dioxaspiro[4.5]decan-8-ylidene)acetate (CAS# 51656-91-8) is a useful research chemical.
Molecular Weight:	226.27
Molecular Formula:	C12H18O4
Canonical SMILES:	CCOC(=O)C=C1CCC2(CC1)OCCO2
InChI:	InChI=1S/C12H18O4/c1-2-14-11(13)9-10-3-5-12(6-4-10)15-7-8-16-12/h9H,2-8H2,1H3
InChI Key:	UIWISFUVNHCOBJ-UHFFFAOYSA-N
Boiling Point:	327.8 °C at 760 mmHg
Density:	1.13 g/cm³
LogP:	1.79300

Publication Number	Title	Priority Date
WO-2021004547-A1	Heterocyclic compounds as inhibitors of hpk1	20190711
WO-2019196780-A1	Novel indoleamine 2,3-dioxygenase inhibitor, preparation method therefor, and use thereof	20180409
WO-2019158051-A1	Spiro compound as indoleamine-2,3-dioxygenase inhibitor	20180213
EP-3753926-A1	Spiro compound as indoleamine-2,3-dioxygenase inhibitor	20180213
US-2021047290-A1	Spiro compound as indoleamine-2,3-dioxygenase inhibitor	20180213

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.12050905
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.12050905
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1