7-methoxy-1-benzofuran-2-carbaldehyde

• ChemBase ID: 231650
• Molecular Formular: C10H8O3
• Molecular Mass: 176.16872
• Monoisotopic Mass: 176.04734412
• SMILES: c12oc(cc1cccc2OC)C=O
• Canonical SMILES: COc1cccc2c1oc(c2)C=O
• InChI: InChI=1S/C10H8O3/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-6H,1H3
• InChIKey: ZVPJQWBKNUJXSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1-benzofuran-2-carbaldehyde
• IUPAC Traditional name: 7-methoxy-1-benzofuran-2-carbaldehyde
• Synonyms: 7-Methoxy-benzofuran-2-carbaldehyde

Database IDs

• CAS Number: 88234-77-9
• MDL Number: MFCD03984484
• PubChem SID: 164287560
• PubChem CID: 3457310

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6072015
• LogD (pH = 7.4): 1.6072015
• Log P: 1.6072015
• Molar Refractivity: 47.8238 cm^3
• Polarizability: 19.128092 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 2.248

Product Information

• Purity: 95%