U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9NO3
Molecular Weight 215.2048
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PHENOXYNICOTINIC ACID

SMILES

OC(=O)C1=CC=CN=C1OC2=CC=CC=C2

InChI

InChIKey=CQGAXJGXGLVFGJ-UHFFFAOYSA-N
InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H9NO3
Molecular Weight 215.2048
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 18:35:39 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:39 GMT 2023
Record UNII
HCB3HEM6WQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PHENOXYNICOTINIC ACID
Systematic Name English
2-PHENOXY-3-PYRIDINECARBOXYLIC ACID
Systematic Name English
3-PYRIDINECARBOXYLIC ACID, 2-PHENOXY-
Systematic Name English
Code System Code Type Description
FDA UNII
HCB3HEM6WQ
Created by admin on Sat Dec 16 18:35:39 GMT 2023 , Edited by admin on Sat Dec 16 18:35:39 GMT 2023
PRIMARY
PUBCHEM
123450
Created by admin on Sat Dec 16 18:35:39 GMT 2023 , Edited by admin on Sat Dec 16 18:35:39 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-647-5
Created by admin on Sat Dec 16 18:35:39 GMT 2023 , Edited by admin on Sat Dec 16 18:35:39 GMT 2023
PRIMARY
CAS
35620-71-4
Created by admin on Sat Dec 16 18:35:39 GMT 2023 , Edited by admin on Sat Dec 16 18:35:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID10189097
Created by admin on Sat Dec 16 18:35:39 GMT 2023 , Edited by admin on Sat Dec 16 18:35:39 GMT 2023
PRIMARY