Estrone

CAS Registry Number®

53-16-7
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CAS Name

Estrone

Molecular Formula

C18H22O2

Molecular Mass

270.37

Cite this Page

Estrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53-16-7 (retrieved 2024-07-15) (CAS RN: 53-16-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    154 °C
  • Melting Point (2)

    260.2 °C
  • Density (2)

    1.236 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

InChIKey

InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(CCC2=O)[H]

Canonical SMILES

O=C1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-hydroxy-
  • Estrone
  • 3-Hydroxyestra-1,3,5(10)-trien-17-one
  • Aquacrine
  • Crinovaryl

Deleted or Replaced CAS Registry Numbers

37242-41-4