3-[4-(methoxymethoxy)phenyl]propanal

• ChemBase ID: 795750
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: C(=O)CCc1ccc(cc1)OCOC
• Canonical SMILES: COCOc1ccc(cc1)CCC=O
• InChI: InChI=1S/C11H14O3/c1-13-9-14-11-6-4-10(5-7-11)3-2-8-12/h4-8H,2-3,9H2,1H3
• InChIKey: HKSZBZCEZPQZGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(methoxymethoxy)phenyl]propanal
• IUPAC Traditional name: 3-[4-(methoxymethoxy)phenyl]propanal
• Synonyms: 3-(4-(MethoxyMethoxy)phenyl)propanal

Database IDs

• CAS Number: 74882-16-9

CALCULATED PROPERTIES

• Acid pKa: 17.554155
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8024007
• LogD (pH = 7.4): 1.8024007
• Log P: 1.8024007
• Molar Refractivity: 53.3574 cm^3
• Polarizability: 20.974031 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%