9H-fluoren-9-yl 2-methylprop-2-enoate

• ChemBase ID: 143761
• Molecular Formular: C17H14O2
• Molecular Mass: 250.29186
• Monoisotopic Mass: 250.09937969
• SMILES: CC(=C)C(=O)OC1c2ccccc2c2c1cccc2
• Canonical SMILES: CC(=C)C(=O)OC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H14O2/c1-11(2)17(18)19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,1H2,2H3
• InChIKey: IFAFXDPXPSZLKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 9H-fluoren-9-yl 2-methylprop-2-enoate
• Synonyms: 9-FMA; FMA; 9-Fluorenyl methacrylate; 9-芴甲基丙烯酸甲酯

Database IDs

• CAS Number: 46969-53-3
• MDL Number: MFCD18781862
• PubChem SID: 162237978
• PubChem CID: 22236819

CALCULATED PROPERTIES

• Acid pKa: 17.54668
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.490418
• LogD (pH = 7.4): 4.490418
• Log P: 4.490418
• Molar Refractivity: 74.3912 cm^3
• Polarizability: 30.339243 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-65 °C

Safety Information

• European Hazard Symbols: Nature polluting (N)
• German water hazard class: 3
• Risk Statements: 50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C17H14O2

DETAILS

Sigma Aldrich - 733342

Packaging
1, 5 g in glass bottle