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Estradiol Hemihydrate

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Estradiol Hemihydrate / CAS : 35380-71-3

Appearance white solid powder UN 0.0
HS - DG Class 0.0
Synonyms Beta-Estradiol Semihydrate; (8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-diol;Hydrate; Estra-1,3,5(10)-Triene-3,17beta-diol Hydrate (2:1)
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Properties

Summary

Formula
C36H50O5
Molecular Mass
290.39700
Exact Mass
290.18800
PSA
49.69000
Logp
3.54490
IUPAC
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;hydrate
SMILES
C[C@]12CC[C@@H]3[C@H]([C@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@@H]3[C@H]([C@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Hormones And Endocrine Drugs

Chemical and Physical Properties

Boiling Point
445.9ºC at 760mmHg
Flash Point
209.6ºC
Appearance
white solid powder

Export information

UN No.
0.0
DG-Class
0.0
Risk Code
60-63-40-64
Safety Label
T

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