U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H7NO2
Molecular Weight 113.1146
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-cyanopropanoate

SMILES

COC(=O)CCC#N

InChI

InChIKey=BPSKURPOKFSLHJ-UHFFFAOYSA-N
InChI=1S/C5H7NO2/c1-8-5(7)3-2-4-6/h2-3H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 3-cyanopropanoate
Systematic Name English
NSC-71943
Preferred Name English
3-Carbomethoxypropionitrile
Systematic Name English
Propanoic acid, 3-cyano-, methyl ester
Common Name English
Methyl 3-cyanopropionate
Systematic Name English
3-Cyanopropionic acid methyl ester
Common Name English
Methyl ?-cyanopropionate
Common Name English
Code System Code Type Description
CAS
4107-62-4
Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025
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FDA UNII
AN4BQA3Q9E
Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025
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PUBCHEM
77749
Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025
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EPA CompTox
DTXSID80194032
Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025
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NSC
71943
Created by admin on Wed Apr 02 15:44:40 GMT 2025 , Edited by admin on Wed Apr 02 15:44:40 GMT 2025
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