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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(4-ethylphenyl)-2-methylpropanoate

SMILES

CCC1=CC=C(C=C1)C(C)(C)C(=O)OC

InChI

InChIKey=NOEXVITUEIEJHK-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-5-10-6-8-11(9-7-10)13(2,3)12(14)15-4/h6-9H,5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 2-(4-ethylphenyl)-2-methylpropanoate
Systematic Name English
2-(4-Ethylphenyl)-2-methylpropionic acid methyl ester
Preferred Name English
Methyl 4-ethyl-?,?-dimethylbenzeneacetate
Systematic Name English
Code System Code Type Description
FDA UNII
ZBH8RJA69Y
Created by admin on Wed Apr 02 19:35:27 GMT 2025 , Edited by admin on Wed Apr 02 19:35:27 GMT 2025
PRIMARY
PUBCHEM
10465581
Created by admin on Wed Apr 02 19:35:27 GMT 2025 , Edited by admin on Wed Apr 02 19:35:27 GMT 2025
PRIMARY
CAS
698394-59-1
Created by admin on Wed Apr 02 19:35:27 GMT 2025 , Edited by admin on Wed Apr 02 19:35:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID10440357
Created by admin on Wed Apr 02 19:35:27 GMT 2025 , Edited by admin on Wed Apr 02 19:35:27 GMT 2025
PRIMARY
NIH
NCATS
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