1,3-dihydro-2-benzofuran-5-carbaldehyde

• ChemBase ID: 273201
• Molecular Formular: C9H8O2
• Molecular Mass: 148.15862
• Monoisotopic Mass: 148.0524295
• SMILES: c12c(ccc(c1)C=O)COC2
• Canonical SMILES: O=Cc1ccc2c(c1)COC2
• InChI: InChI=1S/C9H8O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-4H,5-6H2
• InChIKey: WAYCQEPIQNTRDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dihydro-2-benzofuran-5-carbaldehyde
• IUPAC Traditional name: 1,3-dihydro-2-benzofuran-5-carbaldehyde
• Synonyms: 1,3-dihydro-2-benzofuran-5-carbaldehyde

Database IDs

• MDL Number: MFCD09842492
• PubChem SID: 164329111
• PubChem CID: 11389470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3127522
• LogD (pH = 7.4): 1.3127522
• Log P: 1.3127522
• Molar Refractivity: 42.7637 cm^3
• Polarizability: 15.853975 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.979

Product Information

• Purity: 95%