Rhein

CAS	478-43-3
Structure
Synonyms	Chrysazin-3-carboxylicacid
IUPAC Name	4,5-Dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Molecular Weight	284.22
Molecular Formula	C15H8O6
Canonical SMILES	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
InChI	InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChI Key	FCDLCPWAQCPTKC-UHFFFAOYSA-N
Boiling Point	346.72 °C
Melting Point	≥300 °C(lit.)
Purity	95%+
Density	1.3269 g/cm³
Refractive Index	1.4413
pKa	3.17±0.20(Predicted)
Appearance	Solid