4-(3-Phenanthryl)Butanoic Acid
[CAS# 13728-56-8]

Identification

• Name: 4-(3-Phenanthryl)Butanoic Acid
• Synonyms: 4-(3-Phenanthryl)Butanoic Acid; 4-(3-Phenanthryl)Butyric Acid; Ncistruc1_000729
• Molecular Formula: C₁₈H₁₆O₂
• Molecular Weight: 264.32
• CAS Registry Number: 13728-56-8
• SMILES: C1=C(CCCC(O)=O)C=CC2=CC=C3C(=C12)C=CC=C3
• InChI: 1S/C18H16O2/c19-18(20)7-3-4-13-8-9-15-11-10-14-5-1-2-6-16(14)17(15)12-13/h1-2,5-6,8-12H,3-4,7H2,(H,19,20)
• InChIKey: NYIVWTWKIQOBKO-UHFFFAOYSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 487.213°C at 760 mmHg (Cal.)
• Flash point: 383.739°C (Cal.)

References

• (1): R. E. Gerkin. 4-(3-Phenanthryl)butanoic Acid, Acta Cryst. (1997). C53, 1275-1278