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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13NO2
Molecular Weight 215.2478
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2,5-Dimethylpyrrol-1-yl)benzoic acid

SMILES

CC1=CC=C(C)N1C2=CC=CC(=C2)C(O)=O

InChI

InChIKey=NJPUZFUOUGTNOV-UHFFFAOYSA-N
InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H13NO2
Molecular Weight 215.2478
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 Sat Dec 16 15:19:07 GMT 2023
Edited
by admin
on Sat Dec 16 15:19:07 GMT 2023
Record UNII
FRU7G67S4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2,5-Dimethylpyrrol-1-yl)benzoic acid
Systematic Name English
Benzoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-
Systematic Name English
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50180806
Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023
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FDA UNII
FRU7G67S4W
Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023
PRIMARY
CAS
26180-28-9
Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023
PRIMARY
PUBCHEM
213329
Created by admin on Sat Dec 16 15:19:07 GMT 2023 , Edited by admin on Sat Dec 16 15:19:07 GMT 2023
PRIMARY