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Details

Stereochemistry ACHIRAL
Molecular Formula C9H15NO2
Molecular Weight 169.2209
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-HEXYL CYANOACETATE

SMILES

CCCCCCOC(=O)CC#N

InChI

InChIKey=PWKKBTPSCGLYBR-UHFFFAOYSA-N
InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H15NO2
Molecular Weight 169.2209
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 19:33:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:41 GMT 2025
Record UNII
MQD7W48M8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-HEXYL CYANOACETATE
Systematic Name English
ACETIC ACID, CYANO-, HEXYL ESTER
Preferred Name English
HEXYL CYANOACETATE
Systematic Name English
HEXYL 2-CYANOACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
MQD7W48M8Y
Created by admin on Tue Apr 01 19:33:41 GMT 2025 , Edited by admin on Tue Apr 01 19:33:41 GMT 2025
PRIMARY
CAS
13361-53-0
Created by admin on Tue Apr 01 19:33:41 GMT 2025 , Edited by admin on Tue Apr 01 19:33:41 GMT 2025
PRIMARY
PUBCHEM
25920
Created by admin on Tue Apr 01 19:33:41 GMT 2025 , Edited by admin on Tue Apr 01 19:33:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID30158200
Created by admin on Tue Apr 01 19:33:41 GMT 2025 , Edited by admin on Tue Apr 01 19:33:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-426-0
Created by admin on Tue Apr 01 19:33:41 GMT 2025 , Edited by admin on Tue Apr 01 19:33:41 GMT 2025
PRIMARY