ethyl 2-(furan-2-yl)acetate

• ChemBase ID: 246940
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: C(c1occc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)Cc1ccco1
• InChI: InChI=1S/C8H10O3/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3
• InChIKey: HZCXBPTUYRYPPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(furan-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(furan-2-yl)acetate
• Synonyms: ethyl 2-(furan-2-yl)acetate

Database IDs

• MDL Number: MFCD00798025
• PubChem SID: 164302850
• PubChem CID: 11252124

CALCULATED PROPERTIES

• Acid pKa: 19.893187
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1739428
• LogD (pH = 7.4): 1.1739428
• Log P: 1.1739428
• Molar Refractivity: 39.2742 cm^3
• Polarizability: 15.356655 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.525

Product Information

• Purity: 95%