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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O3
Molecular Weight 150.1314
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BENZODIOXOLE-4-CARBOXALDEHYDE

SMILES

O=CC1=CC=CC2=C1OCO2

InChI

InChIKey=QZMQKPGVXNSITP-UHFFFAOYSA-N
InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3-BENZODIOXOLE-4-CARBOXALDEHYDE
Systematic Name English
BENZO(D)(1,3)DIOXOLE-4-CARBALDEHYDE
Systematic Name English
2,3-(METHYLENEDIOXY)BENZALDEHYDE
Systematic Name English
BENZO-1,3-DIOXOLE-4-CARBOXALDEHYDE
Systematic Name English
Code System Code Type Description
PUBCHEM
82264
Created by admin on Sat Dec 16 12:00:26 UTC 2023 , Edited by admin on Sat Dec 16 12:00:26 UTC 2023
PRIMARY
ECHA (EC/EINECS)
232-252-4
Created by admin on Sat Dec 16 12:00:26 UTC 2023 , Edited by admin on Sat Dec 16 12:00:26 UTC 2023
PRIMARY
CAS
7797-83-3
Created by admin on Sat Dec 16 12:00:26 UTC 2023 , Edited by admin on Sat Dec 16 12:00:26 UTC 2023
PRIMARY
FDA UNII
87T3RQM2CS
Created by admin on Sat Dec 16 12:00:26 UTC 2023 , Edited by admin on Sat Dec 16 12:00:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID90228635
Created by admin on Sat Dec 16 12:00:26 UTC 2023 , Edited by admin on Sat Dec 16 12:00:26 UTC 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966