Cas no 74690-70-3 (9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy-)

9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy- structure
74690-70-3 structure
Product Name:9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy-
CAS No:74690-70-3
MF:C12H8N2O2
MW:212.204122543335
CID:530793
PubChem ID:11820484
Update Time:2025-04-19

9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Pyrido[3,4-b]indole-1-carboxaldehyde, 4-hydroxy-
    • 4-hydroxy-9H-pyrido[3,4-b]indole-1-carbaldehyde
    • DTXSID80473778
    • 4-Hydroxy-9H-beta-carboline-1-carbaldehyde
    • SCHEMBL2124793
    • 74690-70-3
    • 4-Hydroxy-9h-pyrido[3,4-b]indole-1-carboxaldehyde
    • Inchi: 1S/C12H8N2O2/c15-6-9-12-11(10(16)5-13-9)7-3-1-2-4-8(7)14-12/h1-6,14,16H
    • InChI Key: KEMBGOYCFKOHHY-UHFFFAOYSA-N
    • SMILES: OC1C2=C(NC3C2=CC=CC=3)C(C=O)=NC=1

Computed Properties

  • Exact Mass: 212.058577502g/mol
  • Monoisotopic Mass: 212.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 284
  • 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: 1.8
  • Topological Polar Surface Area: 66?2
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