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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O5
Molecular Weight 196.1568
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHOXY-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID

SMILES

COC1=CC(=CC2=C1OCO2)C(O)=O

InChI

InChIKey=AOHAPDDBNAPPIN-UHFFFAOYSA-N
InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H8O5
Molecular Weight 196.1568
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 Sat Dec 16 15:30:39 GMT 2023
Edited
by admin
on Sat Dec 16 15:30:39 GMT 2023
Record UNII
RRP636WWT7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHOXY-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID
Systematic Name English
1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, 7-METHOXY-
Systematic Name English
Code System Code Type Description
FDA UNII
RRP636WWT7
Created by admin on Sat Dec 16 15:30:39 GMT 2023 , Edited by admin on Sat Dec 16 15:30:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID60345823
Created by admin on Sat Dec 16 15:30:39 GMT 2023 , Edited by admin on Sat Dec 16 15:30:39 GMT 2023
PRIMARY
CAS
526-34-1
Created by admin on Sat Dec 16 15:30:39 GMT 2023 , Edited by admin on Sat Dec 16 15:30:39 GMT 2023
PRIMARY
PUBCHEM
607309
Created by admin on Sat Dec 16 15:30:39 GMT 2023 , Edited by admin on Sat Dec 16 15:30:39 GMT 2023
PRIMARY