[9-(hydroxymethyl)-9H-fluoren-9-yl]methanol

• ChemBase ID: 151577
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: c1ccc2c(c1)c1ccccc1C2(CO)CO
• Canonical SMILES: OCC1(CO)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2
• InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [9-(hydroxymethyl)-9H-fluoren-9-yl]methanol
• IUPAC Traditional name: [9-(hydroxymethyl)fluoren-9-yl]methanol
• Synonyms: 9H-Fluorene-9,9-dimethanol; 9H-Fluorene-9,9-dimethanol; 9H-芴-9,9-二甲醇

Database IDs

• CAS Number: 4425-93-8
• MDL Number: MFCD01321348
• PubChem SID: 162245730; 24871428
• PubChem CID: 345022

CALCULATED PROPERTIES

• Acid pKa: 14.518733
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7645433
• LogD (pH = 7.4): 1.7645433
• Log P: 1.7645433
• Molar Refractivity: 77.9409 cm^3
• Polarizability: 27.272951 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-145 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C15H14O2

DETAILS

Sigma Aldrich - 477923

Packaging
1, 5 g in glass bottle