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Details

Stereochemistry ACHIRAL
Molecular Formula C6H9NO2
Molecular Weight 127.1412
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL CYANOACETATE

SMILES

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

InChI

InChIKey=BESQLCCRQYTQQI-UHFFFAOYSA-N
InChI=1S/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H9NO2
Molecular Weight 127.1412
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 12:23:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:54 GMT 2023
Record UNII
0V3MGI9XMA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPROPYL CYANOACETATE
Systematic Name English
ACETIC ACID, CYANO-, 1-METHYLETHYL ESTER
Systematic Name English
CYANOACETIC ACID ISOPROPYL ESTER
Systematic Name English
NSC-1071
Code English
ACETIC ACID, 2-CYANO-, 1-METHYLETHYL ESTER
Systematic Name English
ISOPROPYL 2-CYANOACETATE
Systematic Name English
ACETIC ACID, CYANO-, ISOPROPYL ESTER
Systematic Name English
Code System Code Type Description
NSC
1071
Created by admin on Sat Dec 16 12:23:54 GMT 2023 , Edited by admin on Sat Dec 16 12:23:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID20158198
Created by admin on Sat Dec 16 12:23:54 GMT 2023 , Edited by admin on Sat Dec 16 12:23:54 GMT 2023
PRIMARY
PUBCHEM
25917
Created by admin on Sat Dec 16 12:23:54 GMT 2023 , Edited by admin on Sat Dec 16 12:23:54 GMT 2023
PRIMARY
FDA UNII
0V3MGI9XMA
Created by admin on Sat Dec 16 12:23:54 GMT 2023 , Edited by admin on Sat Dec 16 12:23:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-421-3
Created by admin on Sat Dec 16 12:23:54 GMT 2023 , Edited by admin on Sat Dec 16 12:23:54 GMT 2023
PRIMARY
CAS
13361-30-3
Created by admin on Sat Dec 16 12:23:54 GMT 2023 , Edited by admin on Sat Dec 16 12:23:54 GMT 2023
PRIMARY