Cas no 55651-35-9 (17H-Cyclopenta[a]phenanthren-17-one,11-[(acetyloxy)methyl]-15,16-dihydro- (9CI))

17H-Cyclopenta[a]phenanthren-17-one,11-[(acetyloxy)methyl]-15,16-dihydro- (9CI) structure
55651-35-9 structure
Product Name:17H-Cyclopenta[a]phenanthren-17-one,11-[(acetyloxy)methyl]-15,16-dihydro- (9CI)
CAS No:55651-35-9
MF:C20H16O3
MW:304.339245796204
CID:381680
PubChem ID:180518
Update Time:2025-04-19

17H-Cyclopenta[a]phenanthren-17-one,11-[(acetyloxy)methyl]-15,16-dihydro- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 17H-Cyclopenta[a]phenanthren-17-one,11-[(acetyloxy)methyl]-15,16-dihydro- (9CI)
    • (17-oxo-15,16-dihydrocyclopenta[a]phenanthren-11-yl)methyl acetate
    • 55651-35-9
    • DTXSID30204175
    • 17H-Cyclopenta(a)phenanthren-17-one,11-((acetyloxy)methyl)-15,16-dihydro-
    • Inchi: 1S/C20H16O3/c1-12(21)23-11-14-10-18-16(8-9-19(18)22)17-7-6-13-4-2-3-5-15(13)20(14)17/h2-7,10H,8-9,11H2,1H3
    • InChI Key: DRVHAMLYGIBTGH-UHFFFAOYSA-N
    • SMILES: O=C1CCC2C1=CC(COC(C)=O)=C1C3C=CC=CC=3C=CC=21

Computed Properties

  • Exact Mass: 304.10998
  • Monoisotopic Mass: 304.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 485
  • 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: 3.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.289
  • Boiling Point: 519°C at 760 mmHg
  • Flash Point: 231.1°C
  • Refractive Index: 1.689
  • PSA: 43.37
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