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Details

Stereochemistry ACHIRAL
Molecular Formula C11H19NO2
Molecular Weight 197.2741
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-cyano-2-propylvalerate

SMILES

CCCC(CCC)(C#N)C(=O)OCC

InChI

InChIKey=CVMXOHNPQYTUOZ-UHFFFAOYSA-N
InChI=1S/C11H19NO2/c1-4-7-11(9-12,8-5-2)10(13)14-6-3/h4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H19NO2
Molecular Weight 197.2741
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 Sat Dec 16 12:25:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:15 GMT 2023
Record UNII
S46N9AT6JQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 2-cyano-2-propylvalerate
Systematic Name English
Pentanoic acid, 2-cyano-2-propyl-, ethyl ester
Systematic Name English
Ethyl 2-cyano-2-propylpentanoate
Systematic Name English
NSC-229351
Code English
Code System Code Type Description
CAS
66546-90-5
Created by admin on Sat Dec 16 12:25:15 GMT 2023 , Edited by admin on Sat Dec 16 12:25:15 GMT 2023
PRIMARY
NSC
229351
Created by admin on Sat Dec 16 12:25:15 GMT 2023 , Edited by admin on Sat Dec 16 12:25:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID20216727
Created by admin on Sat Dec 16 12:25:15 GMT 2023 , Edited by admin on Sat Dec 16 12:25:15 GMT 2023
PRIMARY
PUBCHEM
99502
Created by admin on Sat Dec 16 12:25:15 GMT 2023 , Edited by admin on Sat Dec 16 12:25:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
266-402-5
Created by admin on Sat Dec 16 12:25:15 GMT 2023 , Edited by admin on Sat Dec 16 12:25:15 GMT 2023
PRIMARY
FDA UNII
S46N9AT6JQ
Created by admin on Sat Dec 16 12:25:15 GMT 2023 , Edited by admin on Sat Dec 16 12:25:15 GMT 2023
PRIMARY