Cas no 139616-25-4 (9-Phenanthrenecarboxylic acid, 3-cyano-, methyl ester)

9-Phenanthrenecarboxylic acid, 3-cyano-, methyl ester structure
139616-25-4 structure
Product Name:9-Phenanthrenecarboxylic acid, 3-cyano-, methyl ester
CAS No:139616-25-4
MF:C17H11NO2
MW:261.274744272232
CID:1276287
Update Time:2024-08-04

9-Phenanthrenecarboxylic acid, 3-cyano-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 9-Phenanthrenecarboxylic acid, 3-cyano-, methyl ester
    • Inchi: 1S/C17H11NO2/c1-20-17(19)16-9-12-7-6-11(10-18)8-15(12)13-4-2-3-5-14(13)16/h2-9H,1H3
    • InChI Key: QBCJGPCFROISDL-UHFFFAOYSA-N
    • SMILES: C1=C2C(C3C(C(C(OC)=O)=C2)=CC=CC=3)=CC(C#N)=C1

Computed Properties

  • Exact Mass: 261.07903

Experimental Properties

  • Density: 1.28±0.1 g/cm3(Predicted)
  • Boiling Point: 473.8±18.0 °C(Predicted)
  • PSA: 50.09
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