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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO4
Molecular Weight 195.1721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PENCOLIDE

SMILES

C\C=C(/N1C(=O)C=C(C)C1=O)C(O)=O

InChI

InChIKey=NFDKQFGUQFNACT-UTCJRWHESA-N
InChI=1S/C9H9NO4/c1-3-6(9(13)14)10-7(11)4-5(2)8(10)12/h3-4H,1-2H3,(H,13,14)/b6-3-

HIDE SMILES / InChI

Molecular Formula C9H9NO4
Molecular Weight 195.1721
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:29:42 GMT 2023
Edited
by admin
on Sat Dec 16 10:29:42 GMT 2023
Record UNII
1D24950547
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENCOLIDE
Common Name English
1H-PYRROLE-1-ACETIC ACID, .ALPHA.-ETHYLIDENE-2,5-DIHYDRO-3-METHYL-2,5-DIOXO-, (.ALPHA.Z)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Pencolide
Created by admin on Sat Dec 16 10:29:42 GMT 2023 , Edited by admin on Sat Dec 16 10:29:42 GMT 2023
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FDA UNII
1D24950547
Created by admin on Sat Dec 16 10:29:42 GMT 2023 , Edited by admin on Sat Dec 16 10:29:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID601045435
Created by admin on Sat Dec 16 10:29:42 GMT 2023 , Edited by admin on Sat Dec 16 10:29:42 GMT 2023
PRIMARY
PUBCHEM
38353904
Created by admin on Sat Dec 16 10:29:42 GMT 2023 , Edited by admin on Sat Dec 16 10:29:42 GMT 2023
PRIMARY
CAS
61464-52-6
Created by admin on Sat Dec 16 10:29:42 GMT 2023 , Edited by admin on Sat Dec 16 10:29:42 GMT 2023
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