ethyl naphtho[2,1-b]furan-2-carboxylate

• ChemBase ID: 42138
• Molecular Formular: C15H12O3
• Molecular Mass: 240.25398
• Monoisotopic Mass: 240.07864424
• SMILES: c1(cc2c(o1)ccc1c2cccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1oc2c(c1)c1ccccc1cc2
• InChI: InChI=1S/C15H12O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-9H,2H2,1H3
• InChIKey: WCLJZIQDNPSVDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl naphtho[2,1-b]furan-2-carboxylate
• IUPAC Traditional name: ethyl naphtho[2,1-b]furan-2-carboxylate
• Synonyms: Ethyl naphtho[2,1-b]furan-2-carboxylate

Database IDs

• CAS Number: 32730-03-3
• MDL Number: MFCD03001280
• PubChem SID: 162046901
• PubChem CID: 738036

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.402132
• LogD (pH = 7.4): 3.402132
• Log P: 3.402132
• Molar Refractivity: 68.0007 cm^3
• Polarizability: 28.536863 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 114 °C; 113-114°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%