2-(3,4,5-Trimethoxyphenyl)butyric acid

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H18O5
Molecular Weight	254.279
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3,4,5-Trimethoxyphenyl)butyric acid

Structure Search

SMILES

CCC(C(O)=O)C1=CC(OC)=C(OC)C(OC)=C1

InChI

InChIKey=WBULUDGUWZFLMO-UHFFFAOYSA-N

InChI=1S/C13H18O5/c1-5-9(13(14)15)8-6-10(16-2)12(18-4)11(7-8)17-3/h6-7,9H,5H2,1-4H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C13H18O5
Molecular Weight	254.279
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:27:26 GMT 2025` Edited by `admin` on `Wed Apr 02 05:27:26 GMT 2025`
Record UNII	ETY6V28GWS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R/S)-2-(3,4,5-Trimethoxyphenyl)butyric acid

Preferred Name

English

2-(3,4,5-Trimethoxyphenyl)butyric acid

Systematic Name

English

?-Ethyl-3,4,5-trimethoxybenzeneacetic acid

Systematic Name

English

(±)-2-(3,4,5-Trimethoxyphenyl)butyric acid

Systematic Name

English

Benzeneacetic acid, ?-ethyl-3,4,5-trimethoxy-

Systematic Name

English

Code System Code Type Description

FDA UNII

ETY6V28GWS

Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025

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PUBCHEM

2771668

Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025

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CAS

195202-06-3

Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025

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EPA CompTox

DTXSID40941286

Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025

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