ethyl 2-(9H-fluoren-9-yl)acetate

• ChemBase ID: 303930
• Molecular Formular: C17H16O2
• Molecular Mass: 252.30774
• Monoisotopic Mass: 252.11502975
• SMILES: CCOC(=O)CC1c2ccccc2c2c1cccc2
• Canonical SMILES: CCOC(=O)CC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H16O2/c1-2-19-17(18)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3
• InChIKey: KSSIOELMUJKEML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(9H-fluoren-9-yl)acetate
• IUPAC Traditional name: ethyl 2-(9H-fluoren-9-yl)acetate
• Synonyms: Fluorene-9-acetic acid ethyl ester; Ethyl fluorene-9-acetate; 9-氢芴-9-乙酸乙酯

Database IDs

• CAS Number: 159803-52-8
• MDL Number: MFCD01632142

CALCULATED PROPERTIES

• Acid pKa: 16.79092
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6530674
• LogD (pH = 7.4): 3.6530674
• Log P: 3.6530674
• Molar Refractivity: 75.2061 cm^3
• Polarizability: 30.5767 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%