Bicyclo[3.3.1]nonan-9-one - CAS 17931-55-4

Catalog:	BB013562
Product Name:	Bicyclo[3.3.1]nonan-9-one
CAS:	17931-55-4
Synonyms:	bicyclo[3.3.1]nonan-9-one

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Computed Properties

IUPAC Name:	bicyclo[3.3.1]nonan-9-one
Description:	Bicyclo[3.3.1]nonan-9-one (CAS# 17931-55-4 ) is a useful research chemical.
Molecular Weight:	138.21
Molecular Formula:	C9H14O
Canonical SMILES:	C1CC2CCCC(C1)C2=O
InChI:	InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChI Key:	SKTMMSQPXGWCAP-UHFFFAOYSA-N
Boiling Point:	219.8 °C at 760 mmHg
Melting Point:	155-157 °C(lit.)
Purity:	95 %
Density:	1.007 g/cm³
MDL:	MFCD00074752
LogP:	2.15570

Publication Number	Title	Priority Date
JP-2019521977-A	FXR (NR1H4) modulating compound	20160613
CN-106518768-B	Acrylic acid derivative, preparation method and medical application thereof	20150915
US-2018339993-A1	Azaspiro derivatives as trpm8 antagonists	20140314
EP-2877526-A1	Rubber composition comprising an epoxy resin and a polyimine hardener	20120725
EP-2877526-B1	Rubber composition comprising an epoxy resin and a polyimine hardener	20120725

PMID	Publication Date	Title	Journal
14747871	20040207	Thermal decomposition of O-benzyl ketoximes; role of reverse radical disproportionation	Organic & biomolecular chemistry
14535620	20030101	Kappa-receptor selective binding of opioid ligands with a heterocyclic bicyclo[3.3.1]nonan-9-one structure	Acta biologica Hungarica

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Related Functional Groups

Carbonyl Compounds

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[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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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:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.104465066
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.104465066
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2