2,6-Dimethoxybenzonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-Dimethoxybenzonitrile

Structure Search

SMILES

COC1=CC=CC(OC)=C1C#N

InChI

InChIKey=XHAHKSSLDJIEDH-UHFFFAOYSA-N

InChI=1S/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9NO2
Molecular Weight	163.1733
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 17:46:07 GMT 2025` Edited by `admin` on `Tue Apr 01 17:46:07 GMT 2025`
Record UNII	87MDL7GK9F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,6-Dimethoxybenzonitrile

Systematic Name

English

Benzonitrile, 2,6-dimethoxy-

Preferred Name

English

2-Cyano-3-methoxyanisole

Systematic Name

English

NSC-27017

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

241-000-2

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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PUBCHEM

85648

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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FDA UNII

87MDL7GK9F

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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NSC

27017

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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CAS

16932-49-3

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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EPA CompTox

DTXSID70168702

Created by admin on Tue Apr 01 17:46:07 GMT 2025 , Edited by admin on Tue Apr 01 17:46:07 GMT 2025

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