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Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-5-one

Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-5-one - CAS 67594-61-0

Name: Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-5-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033338
Product Name:	Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-5-one
CAS:	67594-61-0
Synonyms:	2'-spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]one; spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-one

Technical Data

Patents

Computed Properties

IUPAC Name:	spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]-2'-one
Description:	Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolan]-5-one (CAS# 67594-61-0) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C9H12O3
Canonical SMILES:	C1COC2(O1)CC3CC2CC3=O
InChI:	InChI=1S/C9H12O3/c10-8-4-7-3-6(8)5-9(7)11-1-2-12-9/h6-7H,1-5H2
InChI Key:	AHODDELHXDJTTC-UHFFFAOYSA-N
LogP:	0.72850

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[17432-37-0]C11H14O
2,3,5,6-Tetramethylbenzaldehyde

Publication Number	Title	Priority Date
US-2016176861-A1	Hydroxy containing fxr (nr1h4) modulating compounds	20141217
US-9751874-B2	Hydroxy containing FXR (NR1H4) modulating compounds	20141217
WO-2016096115-A1	Hydroxy containing fxr (nr1h4) modulating compounds	20141217
US-2011039905-A1	Benzimidazole derivatives as calcium channel blockers	20080425
EP-0778836-A1	Substituted 9-alkyladenines	19940901

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.078644241
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.078644241
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1