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Details

Stereochemistry ACHIRAL
Molecular Formula C8H9NO2.C2H4O2
Molecular Weight 211.2145
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Pyridinepropanoic acid, acetate

SMILES

CC(O)=O.OC(=O)CCC1=CC=NC=C1

InChI

InChIKey=ODSRSJGBCBQXOG-UHFFFAOYSA-N
InChI=1S/C8H9NO2.C2H4O2/c10-8(11)2-1-7-3-5-9-6-4-7;1-2(3)4/h3-6H,1-2H2,(H,10,11);1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula C8H9NO2
Molecular Weight 151.1626
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C2H4O2
Molecular Weight 60.052
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 Wed Apr 02 12:02:09 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:09 GMT 2025
Record UNII
FSR6W7V8NX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Pyridinepropanoic acid, acetate
Systematic Name English
Acetic acid,3-pyridin-4-ylpropanoic acid
Preferred Name English
Code System Code Type Description
CAS
195375-38-3
Created by admin on Wed Apr 02 12:02:09 GMT 2025 , Edited by admin on Wed Apr 02 12:02:09 GMT 2025
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FDA UNII
FSR6W7V8NX
Created by admin on Wed Apr 02 12:02:09 GMT 2025 , Edited by admin on Wed Apr 02 12:02:09 GMT 2025
PRIMARY
PUBCHEM
71346900
Created by admin on Wed Apr 02 12:02:09 GMT 2025 , Edited by admin on Wed Apr 02 12:02:09 GMT 2025
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EPA CompTox
DTXSID10772862
Created by admin on Wed Apr 02 12:02:09 GMT 2025 , Edited by admin on Wed Apr 02 12:02:09 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE