Diethylstilbestrol, mixture of cis and trans - CAS 6898-97-1

Catalog: BB033666
Product Name: Diethylstilbestrol, mixture of cis and trans
CAS: 6898-97-1
Synonyms: 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
Diethylstilbestrol, mixture of cis and trans
IUPAC Name:4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
Description:Diethylstilbestrol, mixture of cis and trans (CAS# 6898-97-1) is an intermediate in the synthesis of d in the synthesis of isotope labelled metabolites of Diethylstibestrol (D445026).
Molecular Weight:268.35
Molecular Formula:C18H20O2
Canonical SMILES:CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI:InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3
InChI Key:RGLYKWWBQGJZGM-UHFFFAOYSA-N
Boiling Point:407.102 ℃ at 760 mmHg
Melting Point:170-172 ℃
Purity:95 %
Density:1.108 g/cm3
Appearance:White crystalline powder
Decomposition:When heated to decomposition it emits acrid smoke and fumes
MDL:MFCD00002373
LogP:4.82860

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