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Details

Stereochemistry RACEMIC
Molecular Formula C13H16O5
Molecular Weight 252.2631
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-Carboxypentoxy)benzoic acid

SMILES

CCCCC(OC1=C(C=CC=C1)C(O)=O)C(O)=O

InChI

InChIKey=ZIXBYIRXIGVWIM-UHFFFAOYSA-N
InChI=1S/C13H16O5/c1-2-3-7-11(13(16)17)18-10-8-5-4-6-9(10)12(14)15/h4-6,8,11H,2-3,7H2,1H3,(H,14,15)(H,16,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-(1-Carboxypentoxy)benzoic acid
Systematic Name English
2-(o-Carboxyphenoxy)hexanoic acid
Systematic Name English
2-[(1-Carboxypentyl)oxy]benzoic acid
Systematic Name English
Code System Code Type Description
CAS
97025-19-9
Created by admin on Sat Dec 16 20:11:48 GMT 2023 , Edited by admin on Sat Dec 16 20:11:48 GMT 2023
PRIMARY
PUBCHEM
22259706
Created by admin on Sat Dec 16 20:11:48 GMT 2023 , Edited by admin on Sat Dec 16 20:11:48 GMT 2023
PRIMARY
FDA UNII
A5DCK88MD3
Created by admin on Sat Dec 16 20:11:48 GMT 2023 , Edited by admin on Sat Dec 16 20:11:48 GMT 2023
PRIMARY