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Equilin
[CAS# 474-86-2]

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Identification
Name Equilin
Synonyms Bspbio_000839; Prestwick1_000850; Prestwick0_000850
Molecular Structure CAS#: 474-86-2, Equilin
Molecular Formula C18H20O2
Molecular Weight 268.35
CAS Registry Number 474-86-2
EINECS 207-488-6
SMILES [C@H]23C1=CCC4=C([C@H]1CC[C@@]2(C(=O)CC3)C)C=CC(=C4)O
InChI 1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
InChIKey WKRLQDKEXYKHJB-HFTRVMKXSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 459.1±45.0°C at 760 mmHg (Cal.)
Flash point 195.4±21.3°C (Cal.)
References
(1) M. W. Sawicki, N. Li and D. Ghosh. Equilin, Acta Cryst. (1999). C55, 425-427 
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