2,4,5-TRIHYDROXYTOLUENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8O3
Molecular Weight	140.1366
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,5-TRIHYDROXYTOLUENE

Structure Search

SMILES

CC1=CC(O)=C(O)C=C1O

InChI

InChIKey=QKGQHTCUNGPCIA-UHFFFAOYSA-N

InChI=1S/C7H8O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,8-10H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H8O3
Molecular Weight	140.1366
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Origins of the 2,4-dinitrotoluene pathway.	2002 Aug	12107140

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:37:26 GMT 2023` Edited by `admin` on `Sat Dec 16 08:37:26 GMT 2023`
Record UNII	FE879NYQ80
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,4,5-TRIHYDROXYTOLUENE

Systematic Name

English

TOLUENE-2,4,5-TRIOL

Systematic Name

English

1,2,4-TRIHYDROXY-5-METHYLBENZENE

Systematic Name

English

1,2,4-BENZENETRIOL, 5-METHYL-

Systematic Name

English

1-METHYL-2,4,5-TRIHYDROXYBENZENE

Systematic Name

English

Code System Code Type Description

CAS

1124-09-0

Created by admin on Sat Dec 16 08:37:26 GMT 2023 , Edited by admin on Sat Dec 16 08:37:26 GMT 2023

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FDA UNII

FE879NYQ80

Created by admin on Sat Dec 16 08:37:26 GMT 2023 , Edited by admin on Sat Dec 16 08:37:26 GMT 2023

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ECHA (EC/EINECS)

214-390-7

Created by admin on Sat Dec 16 08:37:26 GMT 2023 , Edited by admin on Sat Dec 16 08:37:26 GMT 2023

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EPA CompTox

DTXSID70150026

Created by admin on Sat Dec 16 08:37:26 GMT 2023 , Edited by admin on Sat Dec 16 08:37:26 GMT 2023

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PUBCHEM

70758

Created by admin on Sat Dec 16 08:37:26 GMT 2023 , Edited by admin on Sat Dec 16 08:37:26 GMT 2023

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