13728-56-8

Name 4-(3-phenanthryl)butanoic acid
CAS 13728-56-8
Molecular Formula C18H16O2
MDL Number MFCD30741763
Molecular Weight 264.32
MOL File 13728-56-8.mol
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Chemical Properties

Melting point  138-139 °C
Boiling point  487.2±14.0 °C(Predicted)
density  1.211±0.06 g/cm3(Predicted)
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 4.76±0.10(Predicted)
color  Pale Yellow ti Light Yellow
InChI 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
SMILES C1=C2C(C3C(C=C2)=CC=CC=3)=CC(CCCC(O)=O)=C1

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