1-(9H-fluoren-3-yl)ethan-1-one

• ChemBase ID: 229041
• Molecular Formular: C15H12O
• Molecular Mass: 208.25518
• Monoisotopic Mass: 208.088815
• SMILES: c12c3c(Cc1ccc(c2)C(=O)C)cccc3
• Canonical SMILES: CC(=O)c1ccc2c(c1)c1ccccc1C2
• InChI: InChI=1S/C15H12O/c1-10(16)11-6-7-13-8-12-4-2-3-5-14(12)15(13)9-11/h2-7,9H,8H2,1H3
• InChIKey: CSABYBOSPVTETQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-3-yl)ethan-1-one
• IUPAC Traditional name: 1-(9H-fluoren-3-yl)ethanone
• Synonyms: 1-(9H-Fluoren-3-yl)-ethanone

Database IDs

• CAS Number: 55718-48-4
• MDL Number: MFCD03965308
• PubChem SID: 164284951
• PubChem CID: 180527

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 3.2966669
• LogD (pH = 7.4): 3.2966669
• Log P: 3.2966669
• Molar Refractivity: 65.2762 cm^3
• Polarizability: 26.153906 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 16.067808
• H Acceptors: 1

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 3.514

Product Information

• Purity: 95%