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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O4
Molecular Weight 222.2372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Benzodioxole-5-pentanoic acid

SMILES

OC(=O)CCCCC1=CC2=C(OCO2)C=C1

InChI

InChIKey=VSLFLWQBWGEPBW-UHFFFAOYSA-N
InChI=1S/C12H14O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,1-4,8H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H14O4
Molecular Weight 222.2372
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 05:49:16 GMT 2025
Edited
by admin
on Wed Apr 02 05:49:16 GMT 2025
Record UNII
CQ6GR7TE6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(1,3-BENZODIOXOL-5-YL)PENTANOIC ACID
Preferred Name English
1,3-Benzodioxole-5-pentanoic acid
Systematic Name English
5-(3,4-Methylenedioxyphenyl)pentanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
CQ6GR7TE6Z
Created by admin on Wed Apr 02 05:49:16 GMT 2025 , Edited by admin on Wed Apr 02 05:49:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID90415785
Created by admin on Wed Apr 02 05:49:16 GMT 2025 , Edited by admin on Wed Apr 02 05:49:16 GMT 2025
PRIMARY
CAS
41917-45-7
Created by admin on Wed Apr 02 05:49:16 GMT 2025 , Edited by admin on Wed Apr 02 05:49:16 GMT 2025
PRIMARY
PUBCHEM
5321853
Created by admin on Wed Apr 02 05:49:16 GMT 2025 , Edited by admin on Wed Apr 02 05:49:16 GMT 2025
PRIMARY