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

Details

Stereochemistry RACEMIC
Molecular Formula C10H8O4
Molecular Weight 192.1681
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BENZODIOXOL-5-YLOXIRANYLMETHANONE

SMILES

O=C(C1CO1)C2=CC=C3OCOC3=C2

InChI

InChIKey=LUXHBZJUOYPKHY-UHFFFAOYSA-N
InChI=1S/C10H8O4/c11-10(9-4-12-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,9H,4-5H2

HIDE SMILES / InChI

Molecular Formula C10H8O4
Molecular Weight 192.1681
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 23:05:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:38 GMT 2025
Record UNII
1TIK61CP15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZODIOXOL-5-YLOXIRANYLMETHANONE
Systematic Name English
1'-OXOSAFROLE 2',3'-OXIDE
Preferred Name English
1,3-BENZODIOXOLE, 5-(OXIRANYLCARBONYL)-
Systematic Name English
METHANONE, 1,3-BENZODIOXOL-5-YLOXIRANYL-
Systematic Name English
METHANONE, 1,3-BENZODIOXOL-5-YL-2-OXIRANYL-
Systematic Name English
2,3-EPOXY-3',4'-(METHYLENEDIOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
1TIK61CP15
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
PUBCHEM
148868
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID30975318
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY
CAS
59901-89-2
Created by admin on Mon Mar 31 23:05:38 GMT 2025 , Edited by admin on Mon Mar 31 23:05:38 GMT 2025
PRIMARY