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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H11ClO3
Molecular Weight 166.603
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-3-hydroxybutyric acid ethyl ester, (3S)-

SMILES

CCOC(=O)C[C@H](O)CCl

InChI

InChIKey=ZAJNMXDBJKCCAT-YFKPBYRVSA-N
InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Chloro-3-hydroxybutyric acid ethyl ester, (3S)-
Systematic Name English
(3S)-4-Chloro-3-hydroxybutyric acid ethyl ester
Preferred Name English
Ethyl (3S)-4-chloro-3-hydroxybutanoate
Systematic Name English
Butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, (3S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00427096
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
CAS
86728-85-0
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
PUBCHEM
7019277
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
FDA UNII
4LVQ2A7DDJ
Created by admin on Wed Apr 02 17:19:07 GMT 2025 , Edited by admin on Wed Apr 02 17:19:07 GMT 2025
PRIMARY
NIH
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