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Chemical manufacturer | ||||
Name | Equilin |
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Synonyms | Bspbio_000839; Prestwick1_000850; Prestwick0_000850 |
Molecular Structure | ![]() |
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 |
Density | 1.2±0.1g/cm3 (Cal.) |
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Boiling point | 459.1±45.0°C at 760 mmHg (Cal.) |
Flash point | 195.4±21.3°C (Cal.) |
(1) | M. W. Sawicki, N. Li and D. Ghosh. Equilin, Acta Cryst. (1999). C55, 425-427 |
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