Cas no 481053-70-7 (4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde)

4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde structure
481053-70-7 structure
Product Name:4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde
CAS No:481053-70-7
MF:C12H11NO
MW:185.221843004227
CID:2828802
PubChem ID:71362812
Update Time:2025-04-21

4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • KALQKRMRSPDPHW-UHFFFAOYSA-N
    • SCHEMBL1156514
    • 481053-70-7
    • 4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde
    • DB-123535
    • DTXSID20786415
    • Inchi: 1S/C12H11NO/c1-9-11(8-14)7-13-12(9)10-5-3-2-4-6-10/h2-8,13H,1H3
    • InChI Key: KALQKRMRSPDPHW-UHFFFAOYSA-N
    • SMILES: O=CC1=CNC(C2C=CC=CC=2)=C1C

Computed Properties

  • Exact Mass: 185.084063974Da
  • Monoisotopic Mass: 185.084063974Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 32.9?2
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