Cas no 689264-36-6 (3-Peryleneoctanoic acid)

3-Peryleneoctanoic acid structure
3-Peryleneoctanoic acid structure
Product Name:3-Peryleneoctanoic acid
CAS No:689264-36-6
MF:C28H26O2
MW:394.504848003387
CID:1731858
Update Time:2024-11-18

3-Peryleneoctanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Peryleneoctanoic acid
    • Inchi: 1S/C28H26O2/c29-26(30)16-5-3-1-2-4-9-19-17-18-25-23-14-7-11-20-10-6-13-22(27(20)23)24-15-8-12-21(19)28(24)25/h6-8,10-15,17-18H,1-5,9,16H2,(H,29,30)
    • InChI Key: HQHRGFTZXHCYIB-UHFFFAOYSA-N
    • SMILES: C1=C2C3=C(C4C5=C(C=CC=C52)C=CC=4)C=CC=C3C(CCCCCCCC(O)=O)=C1

Computed Properties

  • Exact Mass: 394.19338

Experimental Properties

  • Density: 1.222±0.06 g/cm3(Predicted)
  • Boiling Point: 640.5±34.0 °C(Predicted)
  • PSA: 37.3
  • pka: 4.78±0.10(Predicted)
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