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

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 1-(2-Furyl)-1,3-butanedione

SMILES

CC(=O)CC(=O)C1=CC=CO1

InChI

InChIKey=GPYKJDYMMUIUFG-UHFFFAOYSA-N
InChI=1S/C8H8O3/c1-6(9)5-7(10)8-3-2-4-11-8/h2-4H,5H2,1H3

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 21:21:05 GMT 2025
Edited
by admin
on Wed Apr 02 21:21:05 GMT 2025
Record UNII
PX9TQ2V5AQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Butanedione, 1-(2-furanyl)-
Preferred Name English
1-(2-Furyl)-1,3-butanedione
Systematic Name English
1-(2-Furanyl)-1,3-butanedione
Systematic Name English
1,3-Butanedione, 1-(2-furyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12168
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY
CAS
25790-35-6
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID3067150
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY
ECHA (EC/EINECS)
247-265-0
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY
FDA UNII
PX9TQ2V5AQ
Created by admin on Wed Apr 02 21:21:05 GMT 2025 , Edited by admin on Wed Apr 02 21:21:05 GMT 2025
PRIMARY