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

• ChemBase ID: 311566
• Molecular Formular: C13H14O2
• Molecular Mass: 202.24906
• Monoisotopic Mass: 202.09937969
• SMILES: c1(c(ccc(c1)C=O)OCC=C)CC=C
• Canonical SMILES: C=CCc1cc(C=O)ccc1OCC=C
• InChI: InChI=1S/C13H14O2/c1-3-5-12-9-11(10-14)6-7-13(12)15-8-4-2/h3-4,6-7,9-10H,1-2,5,8H2
• InChIKey: UUGSYFSEGOEBDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 136433-45-9
• MDL Number: MFCD08691765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3578975
• LogD (pH = 7.4): 3.3578975
• Log P: 3.3578975
• Molar Refractivity: 62.5552 cm^3
• Polarizability: 23.472776 Å^3
• Polar Surface Area: 26.3 Å^2