2-Cyanocyclohexanone

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H9NO
Molecular Weight	123.1525
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Cyanocyclohexanone

Structure Search

SMILES

O=C1CCCCC1C#N

InChI

InChIKey=RWMVCOUKVCLWIC-UHFFFAOYSA-N

InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2

HIDE SMILES / InChI

Molecular Formula	C7H9NO
Molecular Weight	123.1525
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:23:45 GMT 2025` Edited by `admin` on `Wed Apr 02 14:23:45 GMT 2025`
Record UNII	6F7V86456G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Cyanocyclohexanone

Systematic Name

English

NSC-2841

Preferred Name

English

?-Cyanocyclohexanone

Systematic Name

English

2-Oxocyclohexanecarbonitrile

Systematic Name

English

2-Oxocyclohexane-1-carbonitrile

Systematic Name

English

Cyclohexanecarbonitrile, 2-oxo-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40277557

Created by admin on Wed Apr 02 14:23:45 GMT 2025 , Edited by admin on Wed Apr 02 14:23:45 GMT 2025

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CAS

4513-77-3

Created by admin on Wed Apr 02 14:23:45 GMT 2025 , Edited by admin on Wed Apr 02 14:23:45 GMT 2025

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PUBCHEM

220297

Created by admin on Wed Apr 02 14:23:45 GMT 2025 , Edited by admin on Wed Apr 02 14:23:45 GMT 2025

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FDA UNII

6F7V86456G

Created by admin on Wed Apr 02 14:23:45 GMT 2025 , Edited by admin on Wed Apr 02 14:23:45 GMT 2025

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NSC

2841

Created by admin on Wed Apr 02 14:23:45 GMT 2025 , Edited by admin on Wed Apr 02 14:23:45 GMT 2025

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