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Details

Stereochemistry RACEMIC
Molecular Formula C6H7NO2
Molecular Weight 125.1253
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Cyanoallyl acetate

SMILES

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

InChI

InChIKey=MEHLEOUIWVWVBF-UHFFFAOYSA-N
InChI=1S/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3

HIDE SMILES / InChI

Molecular Formula C6H7NO2
Molecular Weight 125.1253
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:13:47 GMT 2025
Edited
by admin
on Mon Mar 31 23:13:47 GMT 2025
Record UNII
6EJW8B6WEY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-46585
Preferred Name English
1-Cyanoallyl acetate
Systematic Name English
2-(Acetyloxy)-3-butenenitrile
Systematic Name English
3-Butenenitrile, 2-(acetyloxy)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID801015438
Created by admin on Mon Mar 31 23:13:47 GMT 2025 , Edited by admin on Mon Mar 31 23:13:47 GMT 2025
PRIMARY
NSC
46585
Created by admin on Mon Mar 31 23:13:47 GMT 2025 , Edited by admin on Mon Mar 31 23:13:47 GMT 2025
PRIMARY
PUBCHEM
85891
Created by admin on Mon Mar 31 23:13:47 GMT 2025 , Edited by admin on Mon Mar 31 23:13:47 GMT 2025
PRIMARY
ECHA (EC/EINECS)
239-743-2
Created by admin on Mon Mar 31 23:13:47 GMT 2025 , Edited by admin on Mon Mar 31 23:13:47 GMT 2025
PRIMARY
CAS
15667-63-7
Created by admin on Mon Mar 31 23:13:47 GMT 2025 , Edited by admin on Mon Mar 31 23:13:47 GMT 2025
PRIMARY
FDA UNII
6EJW8B6WEY
Created by admin on Mon Mar 31 23:13:47 GMT 2025 , Edited by admin on Mon Mar 31 23:13:47 GMT 2025
PRIMARY