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Details

Stereochemistry RACEMIC
Molecular Formula C12H15ClO3
Molecular Weight 242.699
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate

SMILES

CCOC(=O)CC(C)(O)C1=CC=C(Cl)C=C1

InChI

InChIKey=AKTWBLNPMXANJD-UHFFFAOYSA-N
InChI=1S/C12H15ClO3/c1-3-16-11(14)8-12(2,15)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Benzenepropanoic acid, 4-chloro-?-hydroxy-?-methyl-, ethyl ester
Preferred Name English
Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
Systematic Name English
Code System Code Type Description
FDA UNII
3UP87RV7B5
Created by admin on Wed Apr 02 21:13:26 GMT 2025 , Edited by admin on Wed Apr 02 21:13:26 GMT 2025
PRIMARY
PUBCHEM
89439
Created by admin on Wed Apr 02 21:13:26 GMT 2025 , Edited by admin on Wed Apr 02 21:13:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID40943462
Created by admin on Wed Apr 02 21:13:26 GMT 2025 , Edited by admin on Wed Apr 02 21:13:26 GMT 2025
PRIMARY
CAS
21133-98-2
Created by admin on Wed Apr 02 21:13:26 GMT 2025 , Edited by admin on Wed Apr 02 21:13:26 GMT 2025
PRIMARY
NIH
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