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Details

Stereochemistry RACEMIC
Molecular Formula C10H17NO2
Molecular Weight 183.2475
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-CYANO-3-METHYLHEXANOATE

SMILES

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

InChI

InChIKey=UTOAELRMKPMVLE-UHFFFAOYSA-N
InChI=1S/C10H17NO2/c1-4-6-10(3,8-11)7-9(12)13-5-2/h4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H17NO2
Molecular Weight 183.2475
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 Sat Dec 16 18:25:41 GMT 2023
Edited
by admin
on Sat Dec 16 18:25:41 GMT 2023
Record UNII
VVN74B4XVV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3-CYANO-3-METHYLHEXANOATE
Systematic Name English
3-CYANO-3,5-DIMETHYLHEXANOIC ACID ETHYL ESTER
Common Name English
HEXANOIC ACID, 3-CYANO-3-METHYL-, ETHYL ESTER
Common Name English
Code System Code Type Description
CAS
914221-12-8
Created by admin on Sat Dec 16 18:25:41 GMT 2023 , Edited by admin on Sat Dec 16 18:25:41 GMT 2023
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FDA UNII
VVN74B4XVV
Created by admin on Sat Dec 16 18:25:41 GMT 2023 , Edited by admin on Sat Dec 16 18:25:41 GMT 2023
PRIMARY
PUBCHEM
88269
Created by admin on Sat Dec 16 18:25:41 GMT 2023 , Edited by admin on Sat Dec 16 18:25:41 GMT 2023
PRIMARY