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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(2-oxoethyl)benzoate

SMILES

COC(=O)C1=CC=CC(CC=O)=C1

InChI

InChIKey=ZECXBDQLXINILP-UHFFFAOYSA-N
InChI=1S/C10H10O3/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,6-7H,5H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H10O3
Molecular Weight 178.1846
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 Wed Apr 02 18:06:54 GMT 2025
Edited
by admin
on Wed Apr 02 18:06:54 GMT 2025
Record UNII
EHE2YP5238
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-Oxoethyl)benzoic acid methyl ester
Preferred Name English
Methyl 3-(2-oxoethyl)benzoate
Systematic Name English
Benzoic acid, 3-(2-oxoethyl)-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
124038-37-5
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
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FDA UNII
EHE2YP5238
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
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PUBCHEM
19688564
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
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EPA CompTox
DTXSID60599203
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
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