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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl mandelate, (S)-

SMILES

CCOC(=O)[C@@H](O)C1=CC=CC=C1

InChI

InChIKey=SAXHIDRUJXPDOD-VIFPVBQESA-N
InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:11:49 GMT 2025
Edited
by admin
on Wed Apr 02 19:11:49 GMT 2025
Record UNII
V6N4V8B3EN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-Ethyl mandelate
Preferred Name English
Ethyl mandelate, (S)-
Common Name English
Ethyl (S)-?-hydroxy-?-phenylacetate
Systematic Name English
Ethyl (S)-2-hydroxy-2-phenylacetate
Systematic Name English
(S)-(+)-Ethyl mandelate
Common Name English
Ethyl mandelate, (S)-(+)-
Common Name English
Benzeneacetic acid, ?-hydroxy-, ethyl ester, (?S)-
Systematic Name English
Ethyl L-mandelate
Common Name English
Code System Code Type Description
PUBCHEM
6951557
Created by admin on Wed Apr 02 19:11:49 GMT 2025 , Edited by admin on Wed Apr 02 19:11:49 GMT 2025
PRIMARY
FDA UNII
V6N4V8B3EN
Created by admin on Wed Apr 02 19:11:49 GMT 2025 , Edited by admin on Wed Apr 02 19:11:49 GMT 2025
PRIMARY
CAS
13704-09-1
Created by admin on Wed Apr 02 19:11:49 GMT 2025 , Edited by admin on Wed Apr 02 19:11:49 GMT 2025
PRIMARY
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