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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 Piperonylonitrile

SMILES

N#CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=PKRWWZCDLJSJIF-UHFFFAOYSA-N
InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2

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

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:25:28 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:28 GMT 2025
Record UNII
A5Z5FV3HFS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Piperonylonitrile
Systematic Name English
NSC-27009
Preferred Name English
AI3-31574
Code English
3,4-Methylenedioxybenzonitrile
Systematic Name English
Benzo-1,3-dioxole-5-carbonitrile
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
224-590-6
Created by admin on Tue Apr 01 19:25:28 GMT 2025 , Edited by admin on Tue Apr 01 19:25:28 GMT 2025
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FDA UNII
A5Z5FV3HFS
Created by admin on Tue Apr 01 19:25:28 GMT 2025 , Edited by admin on Tue Apr 01 19:25:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID80196071
Created by admin on Tue Apr 01 19:25:28 GMT 2025 , Edited by admin on Tue Apr 01 19:25:28 GMT 2025
PRIMARY
CAS
4421-09-4
Created by admin on Tue Apr 01 19:25:28 GMT 2025 , Edited by admin on Tue Apr 01 19:25:28 GMT 2025
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PUBCHEM
78136
Created by admin on Tue Apr 01 19:25:28 GMT 2025 , Edited by admin on Tue Apr 01 19:25:28 GMT 2025
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NSC
27009
Created by admin on Tue Apr 01 19:25:28 GMT 2025 , Edited by admin on Tue Apr 01 19:25:28 GMT 2025
PRIMARY