2-(HYDROXYMETHYL)-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-DIONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8O4
Molecular Weight	168.1467
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(HYDROXYMETHYL)-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-DIONE

Structure Search

SMILES

COC1=CC(=O)C(CO)=CC1=O

InChI

InChIKey=KTTQYVYUXZOVEN-UHFFFAOYSA-N

InChI=1S/C8H8O4/c1-12-8-3-6(10)5(4-9)2-7(8)11/h2-3,9H,4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8O4
Molecular Weight	168.1467
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 20:24:18 GMT 2025` Edited by `admin` on `Tue Apr 01 20:24:18 GMT 2025`
Record UNII	4T8ID93GRJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-271292

Preferred Name

English

2-(HYDROXYMETHYL)-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-DIONE

Systematic Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-(HYDROXYMETHYL)-5-METHOXY-

Systematic Name

English

Code System Code Type Description

FDA UNII

4T8ID93GRJ

Created by admin on Tue Apr 01 20:24:18 GMT 2025 , Edited by admin on Tue Apr 01 20:24:18 GMT 2025

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PUBCHEM

182647

Created by admin on Tue Apr 01 20:24:18 GMT 2025 , Edited by admin on Tue Apr 01 20:24:18 GMT 2025

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CAS

50827-56-0

Created by admin on Tue Apr 01 20:24:18 GMT 2025 , Edited by admin on Tue Apr 01 20:24:18 GMT 2025

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NSC

271292

Created by admin on Tue Apr 01 20:24:18 GMT 2025 , Edited by admin on Tue Apr 01 20:24:18 GMT 2025

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EPA CompTox

DTXSID20198857

Created by admin on Tue Apr 01 20:24:18 GMT 2025 , Edited by admin on Tue Apr 01 20:24:18 GMT 2025

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