You are looking to HYDROCINNAMALDEHYDE
General Information
Pubchem ID: 7707
IUPAC Name: 3-phenylpropanal
Synonym/s: Benzenepropanal, phenylpropylaldehyde
Molecular Formula: C9H10O3
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 134.1700
Number of Atoms: 20
Rotatable Bonds: 3
Molecular Refractivity (m³ • mol-1 ): 41.040
Physico-chemical Properties
Volume (cm³ • mol-1 ): 568.96
Solvent Accessible Surface Area (Ų): 365.57
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: 14.52
AlogP: 1.97
Polar Surface Area (Å): 38.29
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Aldehyde
Benzene Ring