4-Acetylbenzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H7NO
Molecular Weight	145.158
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Acetylbenzonitrile

Structure Search

SMILES

CC(=O)C1=CC=C(C=C1)C#N

InChI

InChIKey=NLPHXWGWBKZSJC-UHFFFAOYSA-N

InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula	C9H7NO
Molecular Weight	145.158
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 18:52:53 GMT 2025` Edited by `admin` on `Tue Apr 01 18:52:53 GMT 2025`
Record UNII	K59SER3YLH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-Cyanoacetophenone

Preferred Name

English

4-Acetylbenzonitrile

Systematic Name

English

Benzonitrile, 4-acetyl-

Systematic Name

English

1-(4-Cyanophenyl)ethanone

Systematic Name

English

Methyl p-cyanophenyl ketone

Systematic Name

English

p-Acetylbenzonitrile

Systematic Name

English

1-Acetyl-4-benzonitrile

Systematic Name

English

Code System Code Type Description

CAS

1443-80-7

Created by admin on Tue Apr 01 18:52:53 GMT 2025 , Edited by admin on Tue Apr 01 18:52:53 GMT 2025

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ECHA (EC/EINECS)

215-885-0

Created by admin on Tue Apr 01 18:52:53 GMT 2025 , Edited by admin on Tue Apr 01 18:52:53 GMT 2025

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PUBCHEM

74044

Created by admin on Tue Apr 01 18:52:53 GMT 2025 , Edited by admin on Tue Apr 01 18:52:53 GMT 2025

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EPA CompTox

DTXSID10162668

Created by admin on Tue Apr 01 18:52:53 GMT 2025 , Edited by admin on Tue Apr 01 18:52:53 GMT 2025

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FDA UNII

K59SER3YLH

Created by admin on Tue Apr 01 18:52:53 GMT 2025 , Edited by admin on Tue Apr 01 18:52:53 GMT 2025

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