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3-Oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-one

3-Oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-one - CAS 1952348-87-6

Catalog:	BB015117
Product Name:	3-Oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-one
CAS:	1952348-87-6
Synonyms:	7'-spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]one; spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]-7'-one

Technical Data

Patents

Computed Properties

IUPAC Name:	spiro[1,3-dioxolane-2,9'-3-oxabicyclo[3.3.1]nonane]-7'-one
Description:	3-Oxaspiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dioxolan]-7-one (CAS# 1952348-87-6 ) is a useful research chemical.
Molecular Weight:	198.22
Molecular Formula:	C10H14O4
Canonical SMILES:	C1COC2(O1)C3CC(=O)CC2COC3
InChI:	InChI=1S/C10H14O4/c11-9-3-7-5-12-6-8(4-9)10(7)13-1-2-14-10/h7-8H,1-6H2
InChI Key:	ZUMHQILMLNRBPO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2017355694-A1	Fxr (nr1h4) modulating compounds	20160613
US-9932332-B2	FXR (NR1H4) modulating compounds	20160613
WO-2017218379-A1	Fxr (nr1h4) modulating compounds	20160613
EP-3233850-B1	Hydroxy containing fxr (nr1h4) modulating compounds	20141217
US-2016176861-A1	Hydroxy containing fxr (nr1h4) modulating compounds	20141217

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Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.08920892
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.08920892
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7