9-methyl-9H-fluorene

• ChemBase ID: 65370
• Molecular Formular: C14H12
• Molecular Mass: 180.24508
• Monoisotopic Mass: 180.09390038
• SMILES: c12c(C(c3c1cccc3)C)cccc2
• Canonical SMILES: CC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H12/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-10H,1H3
• InChIKey: ZVEJRZRAUYJYCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-9H-fluorene
• IUPAC Traditional name: 9-methyl-9H-fluorene
• Synonyms: 9-Methyl-9H-fluorene

Database IDs

• CAS Number: 2523-37-7
• MDL Number: MFCD00126475
• PubChem SID: 162031109
• PubChem CID: 17299

CALCULATED PROPERTIES

• Acid pKa: 18.05236
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0260386
• LogD (pH = 7.4): 4.0260386
• Log P: 4.0260386
• Molar Refractivity: 59.422 cm^3
• Polarizability: 24.371866 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%