246021-20-5

Name 9,11-Didehydroestriol
CAS 246021-20-5
Molecular Formula C18H22O3
MDL Number MFCD04974566
Molecular Weight 286.37
MOL File 246021-20-5.mol
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Chemical Properties

Boiling point  491.9±45.0 °C(Predicted)
density  1.31±0.1 g/cm3(Predicted)
storage temp.  -10 to -25°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 10.37±0.70(Predicted)
color  Off-White to Pale Yellow
Stability: Hygroscopic
Major Application pharmaceutical
InChI 1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5-6,8,14-17,19-21H,2,4,7,9H2,1H3/t14-,15+,16-,17+,18+/m1/s1
InChIKey ZWHFPHWLYUMTGY-WKULXVSPSA-N
SMILES O[C@@H]1[C@@]2([C@H]([C@@H]3CCc4c(ccc(c4)O)C3=CC2)C[C@H]1O)C

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
F  10
HS Code  2937230000
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1

Hazard Information

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