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| 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 °C at 760 mmHg |
| Melting Point: | 170-172 °C |
| 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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