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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7NO4
Molecular Weight 217.1776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2,5-dioxopyrrol-1-yl)benzoic acid

SMILES

OC(=O)C1=CC=C(C=C1)N2C(=O)C=CC2=O

InChI

InChIKey=LKUOJDGRNKVVFF-UHFFFAOYSA-N
InChI=1S/C11H7NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C11H7NO4
Molecular Weight 217.1776
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 Tue Apr 01 19:20:17 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:17 GMT 2025
Record UNII
79D4NT6S3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2,5-dioxopyrrol-1-yl)benzoic acid
Systematic Name English
4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid
Preferred Name English
NSC-14889
Code English
NSC-521355
Code English
Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-
Systematic Name English
Code System Code Type Description
NSC
521355
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
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FDA UNII
79D4NT6S3E
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
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EPA CompTox
DTXSID50168881
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
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CAS
17057-04-4
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
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ECHA (EC/EINECS)
241-117-9
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
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PUBCHEM
86925
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
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NSC
14889
Created by admin on Tue Apr 01 19:20:17 GMT 2025 , Edited by admin on Tue Apr 01 19:20:17 GMT 2025
PRIMARY