2-acetylbut-3-ynal

2D Structure
3D Structure
Source:
General
Identifier MM02835
SMILES C#CC(C=O)C(C)=O
InChIKey CXBJKYVDJICLFI-UHFFFAOYSA-N
MW [Da] 110.11

Automatically obtained from RDkit software.

LogP 0.02

Automatically obtained from RDkit software.

Links

PubChem

90943273

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.