Cas no 85410-09-9 (hexahydropentalenone)

hexahydropentalenone structure
hexahydropentalenone structure
Product Name:hexahydropentalenone
CAS No:85410-09-9
MF:C8H10O
MW:122.164402484894
CID:990455
PubChem ID:25079310
Update Time:2025-04-20

hexahydropentalenone Chemical and Physical Properties

Names and Identifiers

    • hexahydropentalenone
    • 2,3,5,6-tetrahydropentalen-1(4H)-one
    • F86446
    • EN300-751354
    • 1,2,3,4,5,6-Hexahydropentalen-1-one
    • 3,4,5,6-tetrahydropentalen-1(2H)-one
    • EINECS 287-182-7
    • NS00124917
    • 85410-09-9
    • 3,4,5,6-tetrahydro-1(2H)-pentalenone
    • 10515-92-1
    • 3,4,5,6-tetrahydro-2H-pentalen-1-one
    • 2,3,5,6-tetrahydropentalen-1(4H)-one?
    • SCHEMBL1338998
    • Inchi: 1S/C8H10O/c9-8-5-4-6-2-1-3-7(6)8/h1-5H2
    • InChI Key: RCMSABHBOBOMFR-UHFFFAOYSA-N
    • SMILES: O=C1CCC2CCCC=21

Computed Properties

  • Exact Mass: 122.073
  • Monoisotopic Mass: 122.073
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 189
  • 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: 1.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.07
  • Boiling Point: 236.6°C at 760 mmHg
  • Flash Point: 84.1°C
  • Refractive Index: 1.521

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