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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2,5-dimethylbenzoate

SMILES

COC(=O)C1=CC(C)=CC=C1C

InChI

InChIKey=YILVOENZHZWHHK-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-118435
Preferred Name English
Methyl 2,5-dimethylbenzoate
Systematic Name English
Benzoic acid, 2,5-dimethyl-, methyl ester
Common Name English
2,5-Dimethylbenzoic acid methyl ester
Common Name English
Code System Code Type Description
CAS
13730-55-7
Created by admin on Wed Apr 02 12:20:35 GMT 2025 , Edited by admin on Wed Apr 02 12:20:35 GMT 2025
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FDA UNII
KJ66P79G66
Created by admin on Wed Apr 02 12:20:35 GMT 2025 , Edited by admin on Wed Apr 02 12:20:35 GMT 2025
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PUBCHEM
273300
Created by admin on Wed Apr 02 12:20:35 GMT 2025 , Edited by admin on Wed Apr 02 12:20:35 GMT 2025
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NSC
118435
Created by admin on Wed Apr 02 12:20:35 GMT 2025 , Edited by admin on Wed Apr 02 12:20:35 GMT 2025
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EPA CompTox
DTXSID00297837
Created by admin on Wed Apr 02 12:20:35 GMT 2025 , Edited by admin on Wed Apr 02 12:20:35 GMT 2025
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