3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin

Catalog	BBC61899421
CAS	61899-42-1
Synonyms	2H-1-Benzopyran-2-one, 3-(1,1-dimethyl-2-propen-1-yl)-8-hydroxy-7-methoxy-
IUPAC Name	8-hydroxy-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Molecular Weight	260.29
Molecular Formula	C15H16O4
Canonical SMILES	CC(C)(C=C)C1=CC2=C(C(=C(C=C2)OC)O)OC1=O
InChI	InChI=1S/C15H16O4/c1-5-15(2,3)10-8-9-6-7-11(18-4)12(16)13(9)19-14(10)17/h5-8,16H,1H2,2-4H3
InChI Key	KNZZAAGBIUZSNV-UHFFFAOYSA-N
Boiling Point	407.5±45.0 °C
Purity	98%
Density	1.208±0.06 g/ml
Appearance	Solid
pKa	7.87±0.20