3,4,4-Trimethyl-2,5-cyclohexadienone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H12O
Molecular Weight	136.191
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4,4-Trimethyl-2,5-cyclohexadienone

Structure Search

SMILES

CC1=CC(=O)C=CC1(C)C

InChI

InChIKey=XWYNZKIPFPUMPJ-UHFFFAOYSA-N

InChI=1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C9H12O
Molecular Weight	136.191
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 15:44:39 GMT 2025` Edited by `admin` on `Wed Apr 02 15:44:39 GMT 2025`
Record UNII	RB9KZR8YH8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,5-Cyclohexadien-1-one, 3,4,4-trimethyl-

Preferred Name

English

3,4,4-Trimethyl-2,5-cyclohexadienone

Systematic Name

English

3,4,4-Trimethylcyclohexa-2,5-dien-1-one

Systematic Name

English

3,4,4-Trimethyl-2,5-cyclohexadien-1-one

Systematic Name

English

NSC-171276

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20305625

Created by admin on Wed Apr 02 15:44:39 GMT 2025 , Edited by admin on Wed Apr 02 15:44:39 GMT 2025

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PUBCHEM

298910

Created by admin on Wed Apr 02 15:44:39 GMT 2025 , Edited by admin on Wed Apr 02 15:44:39 GMT 2025

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NSC

171276

Created by admin on Wed Apr 02 15:44:39 GMT 2025 , Edited by admin on Wed Apr 02 15:44:39 GMT 2025

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CAS

17429-31-1

Created by admin on Wed Apr 02 15:44:39 GMT 2025 , Edited by admin on Wed Apr 02 15:44:39 GMT 2025

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FDA UNII

RB9KZR8YH8

Created by admin on Wed Apr 02 15:44:39 GMT 2025 , Edited by admin on Wed Apr 02 15:44:39 GMT 2025

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