Methyl 3-cyanopropanoate

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

Structure Search

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

Molecular Formula	C5H7NO2
Molecular Weight	113.1146
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 19:27:23 GMT 2023` Edited by `admin` on `Sat Dec 16 19:27:23 GMT 2023`
Record UNII	AN4BQA3Q9E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Methyl 3-cyanopropanoate

Systematic 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

NSC-71943

Code

English

Methyl β-cyanopropionate

Common Name

English

Code System Code Type Description

CAS

4107-62-4

Created by admin on Sat Dec 16 19:27:23 GMT 2023 , Edited by admin on Sat Dec 16 19:27:23 GMT 2023

PRIMARY

FDA UNII

AN4BQA3Q9E

Created by admin on Sat Dec 16 19:27:23 GMT 2023 , Edited by admin on Sat Dec 16 19:27:23 GMT 2023

PRIMARY

PUBCHEM

77749

Created by admin on Sat Dec 16 19:27:23 GMT 2023 , Edited by admin on Sat Dec 16 19:27:23 GMT 2023

PRIMARY

EPA CompTox

DTXSID80194032

Created by admin on Sat Dec 16 19:27:23 GMT 2023 , Edited by admin on Sat Dec 16 19:27:23 GMT 2023

PRIMARY

NSC

71943

Created by admin on Sat Dec 16 19:27:23 GMT 2023 , Edited by admin on Sat Dec 16 19:27:23 GMT 2023

PRIMARY