Cas no 1196-55-0 (2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-)

2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro- structure
1196-55-0 structure
Product Name:2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-
CAS No:1196-55-0
MF:C10H14O
MW:150.217563152313
CID:190633
PubChem ID:277449
Update Time:2025-04-19

2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro- Chemical and Physical Properties

Names and Identifiers

    • 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-
    • 4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
    • 4,4a,5,6,7,8-Hexahydronaphthalen-2(3H)-one
    • &#948
    • (1(2))-Bicyclo[4.4.0]decenone-3
    • (Sup1,9)-2-Octalone
    • 1,9-2-Octalone
    • 4,4a,5,6,7,8-Hexahydro 2(3H)-naphthalenone
    • MFCD01050419
    • 4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one
    • 4,4a,5,6,7,8-Hexahydro-2(3H)-naphthalenone #
    • SCHEMBL5201714
    • NS-01157
    • 3-oxobicyclo[4.4.0]dec-1-ene
    • 2(3H)-Naphthalenone,4a,5,6,7,8-hexahydro-
    • AKOS016369379
    • 1196-55-0
    • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-
    • starbld0049119
    • .delta.(1(2))-Bicyclo[4.4.0]decenone-3
    • 4,5,6,7,8-Hexahydronaphthalen-2(3H)-one
    • DTXSID70298811
    • .DELTA.1,9-2-Octalone
    • 2,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
    • 4,4a,5,6,7,8-Hexahydro-2(3H)-naphthalenone
    • .delta.(Sup1,9)-2-Octalone
    • NSC126326
    • NSC-126326
    • Inchi： 1S/C10H14O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h7-8H,1-6H2
    • InChI Key： FOCKPZOFYCTNIA-UHFFFAOYSA-N
    • SMILES： O=C1C=C2CCCCC2CC1

Computed Properties

  • Exact Mass: 150.10452
  • Monoisotopic Mass: 150.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 8
  • XLogP3: 1.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
  • LogP: 2.46590

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