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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO3
Molecular Weight 163.1302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RP-112533

SMILES

OC(=O)C1=CC(C#N)=C(O)C=C1

InChI

InChIKey=KUCSFDLSLAVLBY-UHFFFAOYSA-N
InChI=1S/C8H5NO3/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3,10H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H5NO3
Molecular Weight 163.1302
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 16:40:56 GMT 2023
Edited
by admin
on Sat Dec 16 16:40:56 GMT 2023
Record UNII
2PTA3WT4SI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RP-112533
Code English
3-CYANO-4-HYDROXYBENZOIC ACID
Systematic Name English
RP112533
Code English
BENZOIC ACID, 3-CYANO-4-HYDROXY-
Systematic Name English
Code System Code Type Description
CAS
70829-28-6
Created by admin on Sat Dec 16 16:40:56 GMT 2023 , Edited by admin on Sat Dec 16 16:40:56 GMT 2023
PRIMARY
PUBCHEM
11137463
Created by admin on Sat Dec 16 16:40:56 GMT 2023 , Edited by admin on Sat Dec 16 16:40:56 GMT 2023
PRIMARY
FDA UNII
2PTA3WT4SI
Created by admin on Sat Dec 16 16:40:56 GMT 2023 , Edited by admin on Sat Dec 16 16:40:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID20456505
Created by admin on Sat Dec 16 16:40:56 GMT 2023 , Edited by admin on Sat Dec 16 16:40:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
FECAL