3,5-DIMETHYL-4-HYDROXYBENZONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9NO
Molecular Weight	147.1739
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-DIMETHYL-4-HYDROXYBENZONITRILE

Structure Search

SMILES

CC1=CC(=CC(C)=C1O)C#N

InChI

InChIKey=WFYGXOWFEIOHCZ-UHFFFAOYSA-N

InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H9NO
Molecular Weight	147.1739
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 `Mon Mar 31 23:22:49 GMT 2025` Edited by `admin` on `Mon Mar 31 23:22:49 GMT 2025`
Record UNII	FP7F5WF7R4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-

Preferred Name

English

3,5-DIMETHYL-4-HYDROXYBENZONITRILE

Systematic Name

English

4-HYDROXY-3,5-DIMETHYLBENZONITRILE

Systematic Name

English

BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00194791

Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025

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FDA UNII

FP7F5WF7R4

Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025

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CAS

4198-90-7

Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025

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CHEMBL

4207620

Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025

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PUBCHEM

20176

Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025

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