Embelin

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Catalog Number ACM550243
Product Name Embelin
CAS Number 550-24-3
Structure Embelin
IUPAC Name 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
Synonyms 2,5-Dihydroxy-3-Undecyl-1,4-Benzoquinone
Molecular Weight 294.39
Molecular Formula C17H26O4
Canonical SMILES CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
Inchi InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
InChIKey IRSFLDGTOHBADP-UHFFFAOYSA-N
Boiling Point 431.9±45.0 °C at 760 mmHg
Melting Point 145-146 ºC
Flash Point 229.1±25.2 °C
Purity 98%
Density 1.131 g/cm3
Appearance Solid
Refractive Index 1.538

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