4-HYDROXY-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8O2
Molecular Weight	124.1372
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-HYDROXY-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE

Structure Search

SMILES

CC1(O)C=CC(=O)C=C1

InChI

InChIKey=MUBYTRYBVWQAKF-UHFFFAOYSA-N

InChI=1S/C7H8O2/c1-7(9)4-2-6(8)3-5-7/h2-5,9H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H8O2
Molecular Weight	124.1372
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 20:01:26 GMT 2025` Edited by `admin` on `Tue Apr 01 20:01:26 GMT 2025`
Record UNII	VPY14AV9DE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-HYDROXY-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE

Systematic Name

English

NSC-295156

Preferred Name

English

2,5-CYCLOHEXADIEN-1-ONE, 4-HYDROXY-4-METHYL-

Systematic Name

English

Code System Code Type Description

NSC

295156

Created by admin on Tue Apr 01 20:01:26 GMT 2025 , Edited by admin on Tue Apr 01 20:01:26 GMT 2025

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EPA CompTox

DTXSID50177993

Created by admin on Tue Apr 01 20:01:26 GMT 2025 , Edited by admin on Tue Apr 01 20:01:26 GMT 2025

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FDA UNII

VPY14AV9DE

Created by admin on Tue Apr 01 20:01:26 GMT 2025 , Edited by admin on Tue Apr 01 20:01:26 GMT 2025

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PUBCHEM

100411

Created by admin on Tue Apr 01 20:01:26 GMT 2025 , Edited by admin on Tue Apr 01 20:01:26 GMT 2025

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CAS

23438-23-5

Created by admin on Tue Apr 01 20:01:26 GMT 2025 , Edited by admin on Tue Apr 01 20:01:26 GMT 2025

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