Cas no 1175272-54-4 (3-oxo-2,3-dihydroisoquinoline-8-carbonitrile)

3-oxo-2,3-dihydroisoquinoline-8-carbonitrile structure
1175272-54-4 structure
Product Name:3-oxo-2,3-dihydroisoquinoline-8-carbonitrile
CAS No:1175272-54-4
MF:C10H6N2O
MW:170.16744184494
MDL:MFCD18803148
CID:1100617
PubChem ID:67521265
Update Time:2025-04-20

3-oxo-2,3-dihydroisoquinoline-8-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,3-dihydro-3-oxo-8-Isoquinolinecarbonitrile
    • 3-oxo-2,3-dihydroisoquinoline-8-carbonitrile
    • 3-hydroxyisoquinoline-8-carbonitrile
    • RVZLKUMTAUGENW-UHFFFAOYSA-N
    • 1175272-54-4
    • AXB27254
    • 3-oxo-2H-isoquinoline-8-carbonitrile
    • DB-376094
    • SCHEMBL2749751
    • EN300-318367
    • MDL: MFCD18803148
    • Inchi: 1S/C10H6N2O/c11-5-8-3-1-2-7-4-10(13)12-6-9(7)8/h1-4,6H,(H,12,13)
    • InChI Key: RVZLKUMTAUGENW-UHFFFAOYSA-N
    • SMILES: O=C1C=C2C=CC=C(C#N)C2=CN1

Computed Properties

  • Exact Mass: 170.048012819g/mol
  • Monoisotopic Mass: 170.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 441
  • 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: 0
  • Topological Polar Surface Area: 52.9?2

3-oxo-2,3-dihydroisoquinoline-8-carbonitrile Pricemore >>

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