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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

Molecular Formula C8H5NO2
Molecular Weight 147.1308
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.
1997 Dec 5
A three-dimensional coordination polymer featuring effective ferrimagnetic hydroxide-bridged manganese(II) chains.
2005 Jun 27
3-(1H-Tetra-zol-5-yl)benzoic acid.
2008 Dec 10
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:52:57 UTC 2023
Edited
by admin
on Fri Dec 15 18:52:57 UTC 2023
Record UNII
D2GC692D78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CYANOBENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-CYANO-
Common 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 Fri Dec 15 18:52:58 UTC 2023 , Edited by admin on Fri Dec 15 18:52:58 UTC 2023
PRIMARY
ECHA (EC/EINECS)
217-511-1
Created by admin on Fri Dec 15 18:52:58 UTC 2023 , Edited by admin on Fri Dec 15 18:52:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID00172074
Created by admin on Fri Dec 15 18:52:58 UTC 2023 , Edited by admin on Fri Dec 15 18:52:58 UTC 2023
PRIMARY
FDA UNII
D2GC692D78
Created by admin on Fri Dec 15 18:52:58 UTC 2023 , Edited by admin on Fri Dec 15 18:52:58 UTC 2023
PRIMARY
CAS
1877-72-1
Created by admin on Fri Dec 15 18:52:58 UTC 2023 , Edited by admin on Fri Dec 15 18:52:58 UTC 2023
PRIMARY