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Details

Stereochemistry RACEMIC
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLMANDELIC ACID

SMILES

CC1=CC=C(C=C1)C(O)C(O)=O

InChI

InChIKey=SFGURAWGCAPHON-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H10O3
Molecular Weight 166.1739
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:24:52 GMT 2025
Edited
by admin
on Mon Mar 31 23:24:52 GMT 2025
Record UNII
2S2B4H5RL9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLMANDELIC ACID
Common Name English
NSC-126594
Preferred Name English
p-Methylmandelic acid
Common Name English
?-Hydroxy-4-methylbenzeneacetic acid
Common Name English
Code System Code Type Description
FDA UNII
2S2B4H5RL9
Created by admin on Mon Mar 31 23:24:52 GMT 2025 , Edited by admin on Mon Mar 31 23:24:52 GMT 2025
PRIMARY
PUBCHEM
98421
Created by admin on Mon Mar 31 23:24:52 GMT 2025 , Edited by admin on Mon Mar 31 23:24:52 GMT 2025
PRIMARY
CAS
18584-20-8
Created by admin on Mon Mar 31 23:24:52 GMT 2025 , Edited by admin on Mon Mar 31 23:24:52 GMT 2025
PRIMARY
NSC
126594
Created by admin on Mon Mar 31 23:24:52 GMT 2025 , Edited by admin on Mon Mar 31 23:24:52 GMT 2025
PRIMARY