2,3-dihydro-1-benzofuran-4-carbaldehyde

• ChemBase ID: 799588
• Molecular Formular: C9H8O2
• Molecular Mass: 148.15862
• Monoisotopic Mass: 148.0524295
• SMILES: O1CCc2c(cccc12)C=O
• Canonical SMILES: O=Cc1cccc2c1CCO2
• InChI: InChI=1S/C9H8O2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3,6H,4-5H2
• InChIKey: MKWRRGVTYBMERJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1-benzofuran-4-carbaldehyde
• IUPAC Traditional name: 2,3-dihydro-1-benzofuran-4-carbaldehyde
• Synonyms: 2,3-dihydrobenzofuran-4-carbaldehyde

Database IDs

• CAS Number: 209256-42-8

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5679654
• LogD (pH = 7.4): 1.5679654
• Log P: 1.5679654
• Molar Refractivity: 42.4148 cm^3
• Polarizability: 15.773402 Å^3
• Polar Surface Area: 26.3 Å^2

PROPERTIES

Product Information

• Purity: 98%