Cas no 105852-70-8 (Cyclohepta[b]pyrrole-5-carboxaldehyde)

Cyclohepta[b]pyrrole-5-carboxaldehyde structure
105852-70-8 structure
Product Name:Cyclohepta[b]pyrrole-5-carboxaldehyde
CAS No:105852-70-8
MF:C10H7NO
MW:157.168682336807
CID:126872
PubChem ID:23049656
Update Time:2025-04-18

Cyclohepta[b]pyrrole-5-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • Cyclohepta[b]pyrrole-5-carboxaldehyde
    • cyclohepta[b]pyrrole-5-carbaldehyde
    • Cyclohepta[b]pyrrole-5-carboxaldehyde (9CI)
    • SCHEMBL9665633
    • 105852-70-8
    • DTXSID70630050
    • WFJUDVPBGIJMOZ-UHFFFAOYSA-N
    • Inchi: 1S/C10H7NO/c12-7-8-2-1-3-10-9(6-8)4-5-11-10/h1-7H
    • InChI Key: WFJUDVPBGIJMOZ-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC2C(C=CN=2)=C1

Computed Properties

  • Exact Mass: 157.052763847g/mol
  • Monoisotopic Mass: 157.052763847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 1.3
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96000
  • LogP: 1.99890

Cyclohepta[b]pyrrole-5-carboxaldehyde Related Literature

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