Cas no 63385-12-6 (1H-Pyrrolo[2,3-f]quinoline-2-carboxylic acid)

1H-Pyrrolo[2,3-f]quinoline-2-carboxylic acid structure
63385-12-6 structure
Product Name:1H-Pyrrolo[2,3-f]quinoline-2-carboxylic acid
CAS No:63385-12-6
MF:C12H8N2O2
MW:212.204122543335
CID:1115160
PubChem ID:12334110
Update Time:2025-04-20

1H-Pyrrolo[2,3-f]quinoline-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-f]quinoline-2-carboxylic acid
    • 63385-12-6
    • DTXSID50491005
    • SCHEMBL11219318
    • Inchi: 1S/C12H8N2O2/c15-12(16)10-6-7-3-4-9-8(11(7)14-10)2-1-5-13-9/h1-6,14H,(H,15,16)
    • InChI Key: KEVVIZLJCBTAQB-UHFFFAOYSA-N
    • SMILES: OC(C1=CC2C=CC3=C(C=CC=N3)C=2N1)=O

Computed Properties

  • Exact Mass: 212.05864
  • 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: 295
  • 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: 66?2

Experimental Properties

  • PSA: 65.98
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