furan-2-yl benzoate

• ChemBase ID: 60349
• Molecular Formular: C11H8O3
• Molecular Mass: 188.17942
• Monoisotopic Mass: 188.04734412
• SMILES: o1c(ccc1)OC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)Oc1ccco1
• InChI: InChI=1S/C11H8O3/c12-11(9-5-2-1-3-6-9)14-10-7-4-8-13-10/h1-8H
• InChIKey: HMUXGYCCWIHXMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-yl benzoate
• IUPAC Traditional name: furan-2-yl benzoate
• Synonyms: 2-Furyl benzoate

Database IDs

• MDL Number: MFCD19103344
• PubChem SID: 162026090
• PubChem CID: 5325846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8642178
• LogD (pH = 7.4): 2.8642178
• Log P: 2.8642178
• Molar Refractivity: 49.6276 cm^3
• Polarizability: 19.354723 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false