Bicyclo[2.2.2]octan-2-one - CAS 2716-23-6

Catalog:	BB019486
Product Name:	Bicyclo[2.2.2]octan-2-one
CAS:	2716-23-6
Synonyms:	2-bicyclo[2.2.2]octanone; bicyclo[2.2.2]octan-2-one

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Computed Properties

IUPAC Name:	bicyclo[2.2.2]octan-2-one
Description:	Bicyclo[2.2.2]octan-2-one (CAS# 2716-23-6) is a useful research chemical.
Molecular Weight:	124.18
Molecular Formula:	C8H12O
Canonical SMILES:	C1CC2CCC1CC2=O
InChI:	InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h6-7H,1-5H2
InChI Key:	VEPYQCZRVLNDBC-UHFFFAOYSA-N
Boiling Point:	201.6 °C at 760 mmHg
Density:	1.039 g/cm³
Appearance:	Solid
LogP:	1.76560

Publication Number	Title	Priority Date
JP-2020059676-A	Novel compound and method for producing the same	20181010
WO-2020064662-A2	Method for producing sterically hindered, nitrogen-containing heteroaromatic compounds	20180927
KR-102069850-B1	Copolymer, photosensitive resin composition comprising the same and color filter	20171114
KR-20190054701-A	Copolymer, photosensitive resin composition comprising the same and color filter	20171114
AU-2018358157-A1	Modulators of the integrated stress pathway	20171102

PMID	Publication Date	Title	Journal
20670005	20100806	Asymmetric hydrogenation of bicyclic ketones catalyzed by BINAP/IPHAN-Ru(II) complex	Organic letters
15734294	20050301	Antiprotozoal activities of new bicyclo[2.2.2]octan-2-imines and esters of bicyclo[2.2.2]octan-2-ols	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
11597236	20011019	An enantiospecific approach to tricyclic sesquiterpenes mayurone and thujopsenes	The Journal of organic chemistry

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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:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.088815002
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.088815002
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5