Cas no 85249-09-8 (Estrane-3,17-dione)

Estrane-3,17-dione structure
Estrane-3,17-dione structure
Product Name:Estrane-3,17-dione
CAS No:85249-09-8
MF:C18H26O2
MW:274.397845745087
CID:4235393
PubChem ID:14754309
Update Time:2025-04-24

Estrane-3,17-dione Chemical and Physical Properties

Names and Identifiers

    • Estrane-3,17-dione
    • A)-Estrane-3,17-dione
    • FAA69658
    • (5
    • SY297072
    • 5Alpha-Estran-3, 17-dione
    • 85249-09-8
    • SCHEMBL19961985
    • SY297073
    • Inchi: 1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3
    • InChI Key: CRDKSBHJIGNEOH-UHFFFAOYSA-N
    • SMILES: O=C1CCC2C1(C)CCC1C3CCC(CC3CCC12)=O

Computed Properties

  • Exact Mass: 274.193280068g/mol
  • Monoisotopic Mass: 274.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 454
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 34.1?2
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