U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C9H8O5
Molecular Weight 196.1568
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-(METHYLENEDIOXY)MANDELIC ACID

SMILES

OC(C(O)=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=CLUJFRCEPFNVHW-UHFFFAOYSA-N
InChI=1S/C9H8O5/c10-8(9(11)12)5-1-2-6-7(3-5)14-4-13-6/h1-3,8,10H,4H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H8O5
Molecular Weight 196.1568
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 Wed Apr 02 13:40:03 GMT 2025
Edited
by admin
on Wed Apr 02 13:40:03 GMT 2025
Record UNII
4ZYA58BQJ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-(METHYLENEDIOXY)MANDELIC ACID
Systematic Name English
1,3-BENZODIOXOLE-5-ACETIC ACID, .ALPHA.-HYDROXY-
Preferred Name English
2-HYDROXY-2-(3,4-METHYLENEDIOXYPHENYL)ACETIC ACID
Systematic Name English
ALPHA-HYDROXY-1,3-BENZODIOXOLE-5-ACETIC ACID
Systematic Name English
2-(1,3-BENZODIOXOL-5-YL)-2-HYDROXYACETIC ACID
Systematic Name English
MANDELIC ACID, 3,4-(METHYLENEDIOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
4ZYA58BQJ8
Created by admin on Wed Apr 02 13:40:03 GMT 2025 , Edited by admin on Wed Apr 02 13:40:03 GMT 2025
PRIMARY
CHEBI
65054
Created by admin on Wed Apr 02 13:40:03 GMT 2025 , Edited by admin on Wed Apr 02 13:40:03 GMT 2025
PRIMARY
CAS
27738-46-1
Created by admin on Wed Apr 02 13:40:03 GMT 2025 , Edited by admin on Wed Apr 02 13:40:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID60950431
Created by admin on Wed Apr 02 13:40:03 GMT 2025 , Edited by admin on Wed Apr 02 13:40:03 GMT 2025
PRIMARY
PUBCHEM
119618
Created by admin on Wed Apr 02 13:40:03 GMT 2025 , Edited by admin on Wed Apr 02 13:40:03 GMT 2025
PRIMARY