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Hexestrol
[CAS# 5776-72-7]

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Identification
Name Hexestrol
Synonyms 4-[(1R,2R)-1-Ethyl-2-(4-Hydroxyphenyl)Butyl]Phenol; Dl-Hexestrol; Isohexestrol
Molecular Structure CAS#: 5776-72-7, Hexestrol
Molecular Formula C18H22O2
Molecular Weight 270.37
CAS Registry Number 5776-72-7
SMILES [C@@H]([C@H](C1=CC=C(O)C=C1)CC)(C2=CC=C(C=C2)O)CC
InChI 1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18-/m0/s1
InChIKey PBBGSZCBWVPOOL-ROUUACIJSA-N
Properties
Desity 1.093g/cm3 (Cal.)
Boiling point 399.481°C at 760 mmHg (Cal.)
Flash point 181.609°C (Cal.)
References
(1) E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006
Market Analysis Reports
List of Reports Available for Hexestrol
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