9-ethenylphenanthrene

• ChemBase ID: 179522
• Molecular Formular: C16H12
• Molecular Mass: 204.26648
• Monoisotopic Mass: 204.09390038
• SMILES: c1ccc2c(c1)cc(c1c2cccc1)C=C
• Canonical SMILES: C=Cc1cc2ccccc2c2c1cccc2
• InChI: InChI=1S/C16H12/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h2-11H,1H2
• InChIKey: KTPLMACSFXCPHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethenylphenanthrene
• IUPAC Traditional name: 9-ethenylphenanthrene
• Synonyms: 9-Ethenylphenanthrene; 9-Vinylphenanthrene

Database IDs

• CAS Number: 14134-06-6
• PubChem SID: 164235432
• PubChem CID: 1266031

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6889014
• LogD (pH = 7.4): 4.6889014
• Log P: 4.6889014
• Molar Refractivity: 68.6447 cm^3
• Polarizability: 29.317314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 38-40°C dec.

Safety Information

• Storage Condition: Amber Vial, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - V453000

A vinyl derivative from polynuclear aromatic hydrocarbons.