3-methylidene-4-oxopentanal

2D Structure
3D Structure
Source:
General
Identifier MM02503
SMILES C=C(CC=O)C(C)=O
InChIKey GAZQPAKOBVLOTO-UHFFFAOYSA-N
MW [Da] 112.13

Automatically obtained from RDkit software.

LogP 0.72

Automatically obtained from RDkit software.

Links

PubChem

15826680

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.