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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O3
Molecular Weight 164.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Oxoethyl)benzoic acid

SMILES

OC(=O)C1=CC(CC=O)=CC=C1

InChI

InChIKey=CPOFFCWAFRUKDX-UHFFFAOYSA-N
InChI=1S/C9H8O3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,5-6H,4H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H8O3
Molecular Weight 164.158
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 21:23:51 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:51 GMT 2025
Record UNII
MA287S2HG4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-Oxoethyl)benzoic acid
Systematic Name English
Benzoic acid, 3-(2-oxoethyl)-
Preferred Name English
Code System Code Type Description
FDA UNII
MA287S2HG4
Created by admin on Wed Apr 02 21:23:51 GMT 2025 , Edited by admin on Wed Apr 02 21:23:51 GMT 2025
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PUBCHEM
20238917
Created by admin on Wed Apr 02 21:23:51 GMT 2025 , Edited by admin on Wed Apr 02 21:23:51 GMT 2025
PRIMARY
CAS
105650-35-9
Created by admin on Wed Apr 02 21:23:51 GMT 2025 , Edited by admin on Wed Apr 02 21:23:51 GMT 2025
PRIMARY