5-(methoxymethyl)furan-2-carbaldehyde

• ChemBase ID: 283464
• Molecular Formular: C7H8O3
• Molecular Mass: 140.13662
• Monoisotopic Mass: 140.04734412
• SMILES: o1c(ccc1COC)C=O
• Canonical SMILES: COCc1ccc(o1)C=O
• InChI: InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3
• InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)furan-2-carbaldehyde
• IUPAC Traditional name: methoxymethylfurfural
• Synonyms: 5-(methoxymethyl)furan-2-carbaldehyde; 5-(methoxymethyl)-2-furaldehyde

Database IDs

• CAS Number: 1917-64-2
• MDL Number: MFCD02253954
• PubChem SID: 180668995
• PubChem CID: 74711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.54177266
• LogD (pH = 7.4): 0.54177266
• Log P: 0.54177266
• Molar Refractivity: 36.4775 cm^3
• Polarizability: 13.515808 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.469

Product Information

• Purity: 95%; 95+%