Rubiadin-1-Methyl Ether

Catalog	BBC7460437
CAS	7460-43-7
Structure
Synonyms	3-Hydroxy-1-methoxy-2-methylanthraquinone
IUPAC Name	3-Hydroxy-1-methoxy-2-methylanthracene-9,10-dione
Molecular Weight	268.27
Molecular Formula	C16H12O4
Canonical SMILES	CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
InChI	InChI=1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
InChI Key	NTBUBTCXACOEEC-UHFFFAOYSA-N
Boiling Point	502.2±50.0 °C
Melting Point	291 °C
Purity	98%
Density	1.356±0.06 g/ml
Appearance	Powder
pKa	7.40±0.20