1-Methylethyl 3,4,5-trimethoxybenzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O5
Molecular Weight	254.279
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Methylethyl 3,4,5-trimethoxybenzoate

Structure Search

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)OC(C)C

InChI

InChIKey=WSGQQLRXHFUPKV-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C13H18O5
Molecular Weight	254.279
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 19:20:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:20:20 GMT 2025`
Record UNII	9Y4U6GS3XJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Methylethyl 3,4,5-trimethoxybenzoate

Systematic Name

English

Benzoic acid, 3,4,5-trimethoxy-, 1-methylethyl ester

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

229-402-6

Created by admin on Tue Apr 01 19:20:20 GMT 2025 , Edited by admin on Tue Apr 01 19:20:20 GMT 2025

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PUBCHEM

81005

Created by admin on Tue Apr 01 19:20:20 GMT 2025 , Edited by admin on Tue Apr 01 19:20:20 GMT 2025

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FDA UNII

9Y4U6GS3XJ

Created by admin on Tue Apr 01 19:20:20 GMT 2025 , Edited by admin on Tue Apr 01 19:20:20 GMT 2025

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EPA CompTox

DTXSID50215405

Created by admin on Tue Apr 01 19:20:20 GMT 2025 , Edited by admin on Tue Apr 01 19:20:20 GMT 2025

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CAS

6510-89-0

Created by admin on Tue Apr 01 19:20:20 GMT 2025 , Edited by admin on Tue Apr 01 19:20:20 GMT 2025

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