4-methoxy-3-(prop-2-en-1-yl)benzaldehyde

• ChemBase ID: 311617
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: c1(c(ccc(c1)C=O)OC)CC=C
• Canonical SMILES: C=CCc1cc(C=O)ccc1OC
• InChI: InChI=1S/C11H12O2/c1-3-4-10-7-9(8-12)5-6-11(10)13-2/h3,5-8H,1,4H2,2H3
• InChIKey: KBXMYFVAWMPGAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-(prop-2-en-1-yl)benzaldehyde
• IUPAC Traditional name: 4-methoxy-3-(prop-2-en-1-yl)benzaldehyde
• Synonyms: 3-allyl-4-methoxybenzaldehyde

Database IDs

• CAS Number: 67483-48-1
• MDL Number: MFCD08691767

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6266477
• LogD (pH = 7.4): 2.6266477
• Log P: 2.6266477
• Molar Refractivity: 53.3925 cm^3
• Polarizability: 20.02106 Å^3
• Polar Surface Area: 26.3 Å^2