Cas no 14533-78-9 (1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-phenyl-)

1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-phenyl- structure
14533-78-9 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-phenyl-
CAS No:14533-78-9
MF:C12H11NO
MW:185.221843004227
CID:1318979
Update Time:2024-08-18

1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2-carboxaldehyde, 5-methyl-3-phenyl-
    • Inchi: 1S/C12H11NO/c1-9-7-11(12(8-14)13-9)10-5-3-2-4-6-10/h2-8,13H,1H3
    • InChI Key: ZADPHPGSOZOSLP-UHFFFAOYSA-N
    • SMILES: N1C(C)=CC(C2=CC=CC=C2)=C1C=O

Computed Properties

  • Exact Mass: 185.08413

Experimental Properties

  • Density: 1.150±0.06 g/cm3(Predicted)
  • Boiling Point: 363.7±42.0 °C(Predicted)
  • PSA: 32.86
  • pka: 15.67±0.50(Predicted)
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