2-ETHYNYL-5-METHOXYBENZO-1,4-QUINONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H6O3
Molecular Weight	162.1421
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ETHYNYL-5-METHOXYBENZO-1,4-QUINONE

Structure Search

SMILES

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

InChI

InChIKey=ISBDNZMXGHATOW-UHFFFAOYSA-N

InChI=1S/C9H6O3/c1-3-6-4-8(11)9(12-2)5-7(6)10/h1,4-5H,2H3

HIDE SMILES / InChI

Molecular Formula	C9H6O3
Molecular Weight	162.1421
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 20:16:59 GMT 2025` Edited by `admin` on `Tue Apr 01 20:16:59 GMT 2025`
Record UNII	YNS772IK61
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-ETHYNYL-5-METHOXYBENZO-1,4-QUINONE

Systematic Name

English

NSC-377174

Preferred Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-ETHYNYL-5-METHOXY-

Systematic Name

English

2-ETHYNYL-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-DIONE

Systematic Name

English

Code System Code Type Description

FDA UNII

YNS772IK61

Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025

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NSC

377174

Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025

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PUBCHEM

342085

Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025

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CAS

82511-23-7

Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025

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EPA CompTox

DTXSID20231819

Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025

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