2,6-Dioxocyclohexanepropanenitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-Dioxocyclohexanepropanenitrile

Structure Search

SMILES

O=C1CCCC(=O)C1CCC#N

InChI

InChIKey=LQVPJLFILJGCEX-UHFFFAOYSA-N

InChI=1S/C9H11NO2/c10-6-2-3-7-8(11)4-1-5-9(7)12/h7H,1-5H2

HIDE SMILES / InChI

Molecular Formula	C9H11NO2
Molecular Weight	165.1891
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:07:22 GMT 2025` Edited by `admin` on `Wed Apr 02 15:07:22 GMT 2025`
Record UNII	BA2DK6L7WE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-160503

Preferred Name

English

2,6-Dioxocyclohexanepropanenitrile

Systematic Name

English

3-(2,6-Dioxocyclohexyl)propanenitrile

Systematic Name

English

Cyclohexanepropanenitrile, 2,6-dioxo-

Systematic Name

English

Code System Code Type Description

NSC

160503

Created by admin on Wed Apr 02 15:07:22 GMT 2025 , Edited by admin on Wed Apr 02 15:07:22 GMT 2025

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PUBCHEM

293640

Created by admin on Wed Apr 02 15:07:22 GMT 2025 , Edited by admin on Wed Apr 02 15:07:22 GMT 2025

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EPA CompTox

DTXSID60172055

Created by admin on Wed Apr 02 15:07:22 GMT 2025 , Edited by admin on Wed Apr 02 15:07:22 GMT 2025

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FDA UNII

BA2DK6L7WE

Created by admin on Wed Apr 02 15:07:22 GMT 2025 , Edited by admin on Wed Apr 02 15:07:22 GMT 2025

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CAS

1874-85-7

Created by admin on Wed Apr 02 15:07:22 GMT 2025 , Edited by admin on Wed Apr 02 15:07:22 GMT 2025

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