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Formestane Structure

Formestane

Chemical Properties

Melting point 199-202°C
alpha  D20 +181° (c = 7.7 in chloroform)
Boiling point 383.44°C (rough estimate)
Density  1.1189 (rough estimate)
refractive index  1.4200 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  solid
pka 9.31±0.60(Predicted)
color  White to Off-White
InChI InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
InChIKey OSVMTWJCGUFAOD-KZQROQTASA-N
SMILES C1(=O)C(O)=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
CAS DataBase Reference 566-48-3(CAS DataBase Reference)

Safety Information

Hazard Codes  T
Risk Statements  60
Safety Statements  53-36/37/39-45
WGK Germany  3
RTECS  BV8152500

MSDS

Usage And Synthesis

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