(2E,4E)-5-(4-fluorophenyl)penta-2,4-dienal

• ChemBase ID: 311111
• Molecular Formular: C11H9FO
• Molecular Mass: 176.1869632
• Monoisotopic Mass: 176.06374313
• SMILES: C(=C\C=O)/C=C/c1ccc(F)cc1
• Canonical SMILES: O=C/C=C/C=C/c1ccc(cc1)F
• InChI: InChI=1S/C11H9FO/c12-11-7-5-10(6-8-11)4-2-1-3-9-13/h1-9H/b3-1+,4-2+
• InChIKey: RJDFBVBPWYJKEG-ZPUQHVIOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,4E)-5-(4-fluorophenyl)penta-2,4-dienal
• IUPAC Traditional name: (2E,4E)-5-(4-fluorophenyl)penta-2,4-dienal
• Synonyms: (2E,4E)-5-(4-fluorophenyl)penta-2,4-dienal

Database IDs

• CAS Number: 106485-23-8
• MDL Number: MFCD02975821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6473875
• LogD (pH = 7.4): 2.6473875
• Log P: 2.6473875
• Molar Refractivity: 52.6695 cm^3
• Polarizability: 18.84483 Å^3
• Polar Surface Area: 17.07 Å^2