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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

Molecular Formula C7H6O4S
Molecular Weight 186.185
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
catena-Poly[[trimethyl-tin(IV)]-μ-2-(3-thien-yl)acetato].
2008 Dec 10
Di-μ-hydroxido-bis-[aqua-trichlorido-tin(IV)] diethyl ether disolvate.
2008 Oct 18
μ-3-Thienylmalonato-κO:O-bis-[triphenyl-tin(IV)].
2008 Sep 24
Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate.
2009 Nov 18
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:20:52 UTC 2023
Edited
by admin
on Sat Dec 16 18:20:52 UTC 2023
Record UNII
KK6MPZ6HAH
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 18:20:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
244-198-9
Created by admin on Sat Dec 16 18:20:52 UTC 2023 , Edited by admin on Sat Dec 16 18:20:52 UTC 2023
PRIMARY
FDA UNII
KK6MPZ6HAH
Created by admin on Sat Dec 16 18:20:52 UTC 2023 , Edited by admin on Sat Dec 16 18:20:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID9066675
Created by admin on Sat Dec 16 18:20:52 UTC 2023 , Edited by admin on Sat Dec 16 18:20:52 UTC 2023
PRIMARY
PUBCHEM
88782
Created by admin on Sat Dec 16 18:20:52 UTC 2023 , Edited by admin on Sat Dec 16 18:20:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP