5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

CAS	69097-99-0
Synonyms	5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone
IUPAC Name	5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular Weight	302.28
Canonical SMILES	COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3
InChI Key	AIONOLUJZLIMTK-UHFFFAOYSA-N
Boiling Point	586.2±50.0 °C
Melting Point	227-232 °C
Purity	95%+
Density	1.458±0.06 g/cm³
Solubility	Sparingly soluble in water
Exact Mass	302.07903816
Monoisotopic Mass	302.07903816
Odor	Faint fatty vanillic aroma
Physical State	Powder
Storage Conditions	2-8 °C
Topological Polar Surface Area	96.2 Ų