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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 TERT-BUTYL CYANOACETATE

SMILES

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

InChI

InChIKey=BFNYNEMRWHFIMR-UHFFFAOYSA-N
InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3

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 Tue Apr 01 20:29:14 GMT 2025
Edited
by admin
on Tue Apr 01 20:29:14 GMT 2025
Record UNII
PWT31M9VDL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-1072
Preferred Name English
TERT-BUTYL CYANOACETATE
Common Name English
ACETIC ACID, 2-CYANO-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
CYANOACETIC ACID TERT-BUTYL ESTER
Common Name English
ACETIC ACID, CYANO-, TERT-BUTYL ESTER
Common Name English
1,1-DIMETHYLETHYL CYANOACETATE
Systematic Name English
TERT-BUTYL 2-CYANOACETATE
Systematic Name English
TERT-BUTYL .ALPHA.-CYANOACETATE
Common Name English
ACETIC ACID, CYANO-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
NSC
1072
Created by admin on Tue Apr 01 20:29:14 GMT 2025 , Edited by admin on Tue Apr 01 20:29:14 GMT 2025
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FDA UNII
PWT31M9VDL
Created by admin on Tue Apr 01 20:29:14 GMT 2025 , Edited by admin on Tue Apr 01 20:29:14 GMT 2025
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EPA CompTox
DTXSID8061501
Created by admin on Tue Apr 01 20:29:14 GMT 2025 , Edited by admin on Tue Apr 01 20:29:14 GMT 2025
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ECHA (EC/EINECS)
214-243-7
Created by admin on Tue Apr 01 20:29:14 GMT 2025 , Edited by admin on Tue Apr 01 20:29:14 GMT 2025
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PUBCHEM
70693
Created by admin on Tue Apr 01 20:29:14 GMT 2025 , Edited by admin on Tue Apr 01 20:29:14 GMT 2025
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CAS
1116-98-9
Created by admin on Tue Apr 01 20:29:14 GMT 2025 , Edited by admin on Tue Apr 01 20:29:14 GMT 2025
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