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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O4S
Molecular Weight 186.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(THIOPHEN-3-YL)PROPANEDIOIC ACID

SMILES

OC(=O)C(C(O)=O)C1=CSC=C1

InChI

InChIKey=GCOOGCQWQFRJEK-UHFFFAOYSA-N
InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11)

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Hydrogen-bonding interactions in 2-thiophen-3-ylmalonic acid.
2008 Oct 23
Poly(2-thiophen-3-yl-malonic acid), a polythiophene with two carboxylic acids per repeating unit.
2010 May 20
Name Type Language
2-(THIOPHEN-3-YL)PROPANEDIOIC ACID
Systematic Name English
PROPANEDIOIC ACID, 2-(3-THIENYL)-
Systematic Name English
3-THIENYLMALONIC ACID
Common Name English
3-THIENYLMALONIC ACID [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
21080-92-2
Created by admin on Sat Dec 16 18:20:52 GMT 2023 , Edited by admin on Sat Dec 16 18:20:52 GMT 2023
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ECHA (EC/EINECS)
244-198-9
Created by admin on Sat Dec 16 18:20:52 GMT 2023 , Edited by admin on Sat Dec 16 18:20:52 GMT 2023
PRIMARY
FDA UNII
KK6MPZ6HAH
Created by admin on Sat Dec 16 18:20:52 GMT 2023 , Edited by admin on Sat Dec 16 18:20:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID9066675
Created by admin on Sat Dec 16 18:20:52 GMT 2023 , Edited by admin on Sat Dec 16 18:20:52 GMT 2023
PRIMARY
PUBCHEM
88782
Created by admin on Sat Dec 16 18:20:52 GMT 2023 , Edited by admin on Sat Dec 16 18:20:52 GMT 2023
PRIMARY