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Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO2
Molecular Weight 147.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CYANOBENZOIC ACID

SMILES

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

InChI

InChIKey=GYLKKXHEIIFTJH-UHFFFAOYSA-N
InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.
2009-04-20
3-(1H-Tetra-zol-5-yl)benzoic acid.
2008-12-10
A three-dimensional coordination polymer featuring effective ferrimagnetic hydroxide-bridged manganese(II) chains.
2005-06-27
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.
1997-12-05
Patents
Name Type Language
3-CYANOBENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-CYANO-
Preferred Name English
BENZOIC ACID, M-CYANO-
Common Name English
M-CARBOXYBENZONITRILE
Systematic Name English
3-CARBOXYBENZONITRILE
Systematic Name English
M-CYANOBENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
15875
Created by admin on Mon Mar 31 19:24:03 GMT 2025 , Edited by admin on Mon Mar 31 19:24:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-511-1
Created by admin on Mon Mar 31 19:24:03 GMT 2025 , Edited by admin on Mon Mar 31 19:24:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID00172074
Created by admin on Mon Mar 31 19:24:03 GMT 2025 , Edited by admin on Mon Mar 31 19:24:03 GMT 2025
PRIMARY
FDA UNII
D2GC692D78
Created by admin on Mon Mar 31 19:24:03 GMT 2025 , Edited by admin on Mon Mar 31 19:24:03 GMT 2025
PRIMARY
CAS
1877-72-1
Created by admin on Mon Mar 31 19:24:03 GMT 2025 , Edited by admin on Mon Mar 31 19:24:03 GMT 2025
PRIMARY