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Details

Stereochemistry ACHIRAL
Molecular Formula C7H11NO2
Molecular Weight 141.1677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL CYANOACETATE

SMILES

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

InChI

InChIKey=HRGQEKKNLHJZGZ-UHFFFAOYSA-N
InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H11NO2
Molecular Weight 141.1677
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 Mon Mar 31 17:54:39 GMT 2025
Edited
by admin
on Mon Mar 31 17:54:39 GMT 2025
Record UNII
ID1WNZ1D0S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIC ACID, 2-CYANO-, 2-METHYLPROPYL ESTER
Preferred Name English
ISOBUTYL CYANOACETATE
Systematic Name English
ACETIC ACID, CYANO-, ISOBUTYL ESTER
Common Name English
ISOBUTYL 2-CYANOACETATE
Systematic Name English
ACETIC ACID, CYANO-, ISO-BUTYL ESTER
Common Name English
ACETIC ACID, CYANO-, 2-METHYLPROPYL ESTER
Common Name English
CYANOACETIC ACID ISOBUTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
13361-31-4
Created by admin on Mon Mar 31 17:54:39 GMT 2025 , Edited by admin on Mon Mar 31 17:54:39 GMT 2025
PRIMARY
FDA UNII
ID1WNZ1D0S
Created by admin on Mon Mar 31 17:54:39 GMT 2025 , Edited by admin on Mon Mar 31 17:54:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-422-9
Created by admin on Mon Mar 31 17:54:39 GMT 2025 , Edited by admin on Mon Mar 31 17:54:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID6065424
Created by admin on Mon Mar 31 17:54:39 GMT 2025 , Edited by admin on Mon Mar 31 17:54:39 GMT 2025
PRIMARY
PUBCHEM
25918
Created by admin on Mon Mar 31 17:54:39 GMT 2025 , Edited by admin on Mon Mar 31 17:54:39 GMT 2025
PRIMARY