You are looking to Propionaldehyde
General Information
Pubchem ID: 527
IUPAC Name: propanal
Synonym/s: Methylacetaldehyde, Propaldehyde
Molecular Formula: C3H6O
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 58.0800
Number of Atoms: 10
Rotatable Bonds: 1
Molecular Refractivity (m³ • mol-1 ): 16.340
Physico-chemical Properties
Volume (cm³ • mol-1 ): 327.80
Solvent Accessible Surface Area (Ų): 239.96
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: 15.52
AlogP: 0.48
Polar Surface Area (Å): 38.35
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Aldehyde