U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O3
Molecular Weight 152.1473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dopal

SMILES

OC1=C(O)C=C(CC=O)C=C1

InChI

InChIKey=IADQVXRMSNIUEL-UHFFFAOYSA-N
InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2

HIDE SMILES / InChI

Molecular Formula C8H8O3
Molecular Weight 152.1473
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:35:10 GMT 2025
Edited
by admin
on Wed Apr 02 14:35:10 GMT 2025
Record UNII
F2E9Q24TSL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dopal
Common Name English
2-(3,4-BIS(OXIDANYL)PHENYL)ETHANAL
Preferred Name English
3,4-Dihydroxybenzeneacetaldehyde
Systematic Name English
Benzeneacetaldehyde, 3,4-dihydroxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
119219
Created by admin on Wed Apr 02 14:35:10 GMT 2025 , Edited by admin on Wed Apr 02 14:35:10 GMT 2025
PRIMARY
CAS
5707-55-1
Created by admin on Wed Apr 02 14:35:10 GMT 2025 , Edited by admin on Wed Apr 02 14:35:10 GMT 2025
PRIMARY
FDA UNII
F2E9Q24TSL
Created by admin on Wed Apr 02 14:35:10 GMT 2025 , Edited by admin on Wed Apr 02 14:35:10 GMT 2025
PRIMARY
WIKIPEDIA
3,4-Dihydroxyphenylacetaldehyde
Created by admin on Wed Apr 02 14:35:10 GMT 2025 , Edited by admin on Wed Apr 02 14:35:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID10205680
Created by admin on Wed Apr 02 14:35:10 GMT 2025 , Edited by admin on Wed Apr 02 14:35:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE TOXIC
PARENT -> METABOLITE TOXIC