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Details

Stereochemistry MIXED
Molecular Formula C15H21NO2
Molecular Weight 247.3327
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylate

SMILES

CCOC(=O)C(\C#N)=C\C1CCC2CC1C2(C)C

InChI

InChIKey=AHMURUIVXKUDHR-YRNVUSSQSA-N
InChI=1S/C15H21NO2/c1-4-18-14(17)11(9-16)7-10-5-6-12-8-13(10)15(12,2)3/h7,10,12-13H,4-6,8H2,1-3H3/b11-7+

HIDE SMILES / InChI

Molecular Formula C15H21NO2
Molecular Weight 247.3327
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:24:19 GMT 2025
Edited
by admin
on Wed Apr 02 19:24:19 GMT 2025
Record UNII
6PN4FHB5ZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Propenoic acid,2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)-,ethyl ester
Preferred Name English
Ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)acrylate
Systematic Name English
Ethyl 2-cyano-3-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)-2-propenoate
Systematic Name English
Code System Code Type Description
CAS
85409-41-2
Created by admin on Wed Apr 02 19:24:19 GMT 2025 , Edited by admin on Wed Apr 02 19:24:19 GMT 2025
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PUBCHEM
44153680
Created by admin on Wed Apr 02 19:24:19 GMT 2025 , Edited by admin on Wed Apr 02 19:24:19 GMT 2025
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EPA CompTox
DTXSID601165162
Created by admin on Wed Apr 02 19:24:19 GMT 2025 , Edited by admin on Wed Apr 02 19:24:19 GMT 2025
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FDA UNII
6PN4FHB5ZX
Created by admin on Wed Apr 02 19:24:19 GMT 2025 , Edited by admin on Wed Apr 02 19:24:19 GMT 2025
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