Cas no 776328-39-3 (8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile)

8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile structure
776328-39-3 structure
Product Name:8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
CAS No:776328-39-3
MF:C11H9NO
MW:171.195262670517
MDL:MFCD09029899
CID:552843
PubChem ID:11217503
Update Time:2025-04-19

8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarbonitrile,5,6,7,8-tetrahydro-8-oxo-
    • MP7159
    • 8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile
    • 7-cyano-3,4-dihydro-2H-naphthalen-
    • 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
    • AC-17844
    • AG-H-10853
    • AGN-PC-004L2H
    • CTK5E4716
    • SureCN4219924
    • 8-Oxo-5,6,7,8-tetrahydro-naphthalene-2-carbonitrile
    • SCHEMBL4219924
    • DTXSID90459003
    • BGB32839
    • MFCD09029899
    • SB38724
    • 8-oxidanylidene-6,7-dihydro-5H-naphthalene-2-carbonitrile
    • A839148
    • CS-0341486
    • BB 0262571
    • 776328-39-3
    • AKOS006291579
    • MDL： MFCD09029899
    • Inchi： 1S/C11H9NO/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6H,1-3H2
    • InChI Key： WXWZWMNHMVQTPS-UHFFFAOYSA-N
    • SMILES： O=C1C2C=C(C#N)C=CC=2CCC1

Computed Properties

  • Exact Mass: 171.06847
  • Monoisotopic Mass: 171.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 263
  • 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: 40.9A^2
  • XLogP3: 1.7

Experimental Properties

  • PSA: 40.86

8-oxo-6,7-dihydro-5H-naphthalene-2-carbonitrile Pricemore >>

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