Methyl 2-cyanopropanoate

2D Structure
3D Structure
Source:
General
Identifier MM02836
SMILES COC(=O)C(C)C#N
InChIKey GWHHQWUYMDWMAY-UHFFFAOYSA-N
MW [Da] 113.12

Automatically obtained from RDkit software.

LogP 0.32

Automatically obtained from RDkit software.

Links

PubChem

247818

DrugBank

N/A

ChEBI

N/A

PDB

N/A

ChEMBL

N/A

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.