Cas no 3586-86-5 (2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one)

2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one structure
3586-86-5 structure
Product Name:2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one
CAS No:3586-86-5
MF:C14H16O
MW:200.276244163513
CID:920770
PubChem ID:317749
Update Time:2025-04-19

2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one Chemical and Physical Properties

Names and Identifiers

    • 2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one
    • (+-)-9-Oxo-trans-1.2.3.4.4a.9.9a.10-octahydro-anthracen
    • (+-)-9-oxo-trans-1.2.3.4.4a.9.9a.10-octahydro-anthracene
    • 6,7,8,8a,10,10a-hexahydro-5H-anthracen-9-one
    • AC1L7WNH
    • CTK1C6660
    • NSC251074
    • trans-1,2,3,4,4a,9,9a,10-Octahydroanthracen-9-on
    • trans-1,2,3,4,4a,9a-hexahydro-9-(10H)-anthracenone
    • trans-1,2,3,4,4a,9a-hexahydro-9(10H)-antracenone
    • 9-keto-1,2,3,4,4a,9,9a,10-octahydroanthracene
    • SCHEMBL12998132
    • NSC-251074
    • DS-005823
    • 1,3,4,4a,9a,10-Hexahydroanthracen-9(2H)-one
    • DTXSID50312201
    • 3586-86-5
    • Inchi: 1S/C14H16O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1,3,5,7,11,13H,2,4,6,8-9H2
    • InChI Key: QOTCSCVHPPXXQB-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2CC2CCCCC21

Computed Properties

  • Exact Mass: 200.12018
  • Monoisotopic Mass: 200.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

2,3,4,4a,9a,10-hexahydro-1h-anthracen-9-one Related Literature

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