Cas no 933753-40-3 (Pyrrolo[2,3-b]indole-3-carboxylic acid, 1,8-dihydro-)

Pyrrolo[2,3-b]indole-3-carboxylic  acid,  1,8-dihydro- structure
933753-40-3 structure
Product Name:Pyrrolo[2,3-b]indole-3-carboxylic acid, 1,8-dihydro-
CAS No:933753-40-3
MF:C11H8N2O2
MW:200.193422317505
CID:999700
Update Time:2024-02-08

Pyrrolo[2,3-b]indole-3-carboxylic acid, 1,8-dihydro- Chemical and Physical Properties

Names and Identifiers

    • Pyrrolo[2,3-b]indole-3-carboxylic acid, 1,8-dihydro-
    • Inchi: 1S/C11H8N2O2/c14-11(15)7-5-12-10-9(7)6-3-1-2-4-8(6)13-10/h1-5,12-13H,(H,14,15)
    • InChI Key: WALACEVKGRHCBH-UHFFFAOYSA-N
    • SMILES: N1C2=C(C=CC=C2)C2C(C(O)=O)=CNC1=2

Computed Properties

  • Exact Mass: 200.059
  • Monoisotopic Mass: 200.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 282
  • 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
  • Topological Polar Surface Area: 68.9A^2
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