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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O5
Molecular Weight 266.2897
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(6,7-DIMETHOXY-5-PROPYL-1,3-BENZODIOXOL-4-YL)ETHANONE

SMILES

CCCC1=C(OC)C(OC)=C2OCOC2=C1C(C)=O

InChI

InChIKey=XRKDCAXOBTYMDP-UHFFFAOYSA-N
InChI=1S/C14H18O5/c1-5-6-9-10(8(2)15)12-14(19-7-18-12)13(17-4)11(9)16-3/h5-7H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-(6,7-DIMETHOXY-5-PROPYL-1,3-BENZODIOXOL-4-YL)ETHANONE
Systematic Name English
NSC-352082
Preferred Name English
ETHANONE, 1-(6,7-DIMETHOXY-5-PROPYL-1,3-BENZODIOXOL-4-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10227382
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
CAS
76576-60-8
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
PUBCHEM
100713
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
FDA UNII
X5T0HY0UUY
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY
NSC
352082
Created by admin on Tue Apr 01 20:26:24 GMT 2025 , Edited by admin on Tue Apr 01 20:26:24 GMT 2025
PRIMARY