CYCLOHEPTANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O
Molecular Weight	112.1696
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOHEPTANONE

SMILES

O=C1CCCCCC1

InChI

InChIKey=CGZZMOTZOONQIA-UHFFFAOYSA-N

InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2

HIDE SMILES / InChI

Molecular Formula	C7H12O
Molecular Weight	112.1696
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Synthesis and acetylcholinesterase/butyrylcholinesterase inhibition activity of 4-amino-2, 3-diaryl-5, 6, 7, 8-tetrahydrofuro(and thieno)[2, 3-b]-quinolines, and 4-amino-5, 6, 7, 8, 9-pentahydro-2, 3-diphenylcyclohepta[e]furo(and thieno)-[2, 3-b]pyridines.	2002 Jul	12207285
The formation of bicyclo[n.2.0]alkan-1-ols from the reaction of the lithium enolates of simple ketones and phenyl vinyl sulfoxide.	2003 Apr 21	12929665
A tandem metal carbene cyclization-cycloaddition approach to the pseudolaric acids.	2003 May 30	12762718
Regioselective samarium diiodide induced couplings of carbonyl compounds with 1,3-diphenylallene and alkoxyallenes: a new route to 4-hydroxy-1-enol ethers.	2004 Oct 25	15372682
Organocatalytic regioselective Michael additions of cyclic enones via asymmetric phase transfer catalysis.	2006 Dec 7	17102872

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Patents

Substance Class	Chemical
Record UNII	QH80295937
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

CYCLOHEPTANONE

Systematic Name

English

SUBERONE

Common Name

English

CYCLOHEPTANONE [MI]

Common Name

English

KETOCYCLOHEPTANE

Systematic Name

English

KETOHEPTAMETHYLENE

Common Name

English

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Show entries

Code System

Code

Type

Description

ECHA (EC/EINECS)

207-937-6

PRIMARY

WIKIPEDIA

CYCLOHEPTANONE

PRIMARY

CAS

502-42-1

PRIMARY

FDA UNII

QH80295937

PRIMARY

EPA CompTox

DTXSID8060113

PRIMARY

Showing 1 to 5 of 9 entries

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