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Digitolutein
[CAS# 477-86-1]

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Identification
Name Digitolutein
Synonyms 2-Hydroxy-1-Methoxy-3-Methyl-Anthracene-9,10-Dione; 2-Hydroxy-1-Methoxy-3-Methyl-9,10-Anthraquinone; Digitolutein
Molecular Structure CAS#: 477-86-1, Digitolutein
Molecular Formula C16H12O4
Molecular Weight 268.27
CAS Registry Number 477-86-1
SMILES C1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C=CC=C3)OC)O)C
InChI 1S/C16H12O4/c1-8-7-11-12(16(20-2)13(8)17)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
InChIKey WCRMDMYSQWZTSF-UHFFFAOYSA-N
Properties
Density 1.356g/cm3 (Cal.)
Boiling point 493.568°C at 760 mmHg (Cal.)
Flash point 189.397°C (Cal.)
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