5-OXOHEXANENITRILE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H9NO
Molecular Weight	111.1418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-OXOHEXANENITRILE

Structure Search

SMILES

CC(=O)CCCC#N

InChI

InChIKey=AEVMBQIIZGKQRB-UHFFFAOYSA-N

InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H9NO
Molecular Weight	111.1418
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 `Tue Apr 01 17:37:05 GMT 2025` Edited by `admin` on `Tue Apr 01 17:37:05 GMT 2025`
Record UNII	DD734N7VC5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-OXOHEXANENITRILE

Systematic Name

English

HEXANENITRILE, 5-OXO-

Preferred Name

English

4-ACETYLBUTYRONITRILE

Common Name

English

5-OXOHEXANONITRILE

Systematic Name

English

.GAMMA.-ACETOBUTYRONITRILE

Common Name

English

Code System Code Type Description

PUBCHEM

82611

Created by admin on Tue Apr 01 17:37:05 GMT 2025 , Edited by admin on Tue Apr 01 17:37:05 GMT 2025

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EPA CompTox

DTXSID5065065

Created by admin on Tue Apr 01 17:37:05 GMT 2025 , Edited by admin on Tue Apr 01 17:37:05 GMT 2025

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ECHA (EC/EINECS)

233-884-3

Created by admin on Tue Apr 01 17:37:05 GMT 2025 , Edited by admin on Tue Apr 01 17:37:05 GMT 2025

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FDA UNII

DD734N7VC5

Created by admin on Tue Apr 01 17:37:05 GMT 2025 , Edited by admin on Tue Apr 01 17:37:05 GMT 2025

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CAS

10412-98-3

Created by admin on Tue Apr 01 17:37:05 GMT 2025 , Edited by admin on Tue Apr 01 17:37:05 GMT 2025

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