Cas no 70109-53-4 (3-Phenanthrenecarboxylic acid, 4-(4-chlorophenyl)-1,9-dimethoxy-)

3-Phenanthrenecarboxylic acid, 4-(4-chlorophenyl)-1,9-dimethoxy- structure
70109-53-4 structure
Product Name:3-Phenanthrenecarboxylic acid, 4-(4-chlorophenyl)-1,9-dimethoxy-
CAS No:70109-53-4
MF:C23H17ClO4
MW:392.831685781479
CID:1741125
Update Time:2024-11-27

3-Phenanthrenecarboxylic acid, 4-(4-chlorophenyl)-1,9-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 3-Phenanthrenecarboxylic acid, 4-(4-chlorophenyl)-1,9-dimethoxy-
    • Inchi: 1S/C23H17ClO4/c1-27-19-11-17-20(28-2)12-18(23(25)26)21(13-7-9-14(24)10-8-13)22(17)16-6-4-3-5-15(16)19/h3-12H,1-2H3,(H,25,26)
    • InChI Key: BPNSBRDKABYLNG-UHFFFAOYSA-N
    • SMILES: C1(OC)=C2C(C3C(C(OC)=C2)=CC=CC=3)=C(C2=CC=C(Cl)C=C2)C(C(O)=O)=C1

Computed Properties

  • Exact Mass: 392.08161

Experimental Properties

  • Density: 1.329±0.06 g/cm3(Predicted)
  • Melting Point: 280-281 °C
  • Boiling Point: 555.2±50.0 °C(Predicted)
  • PSA: 55.76
  • pka: 4.07±0.30(Predicted)

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