Coumarin 522B

Catalog Number	A17-0059
Category	Laser Dyes
Molecular Formula	C17H18F3NO2
Molecular Weight	325.331

Catalog Number	Size	Price	Quantity
A17-0059	--	$--

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Product Introduction

Coumarin 522B is a biomedicine chemical that offers potential in the study of diverse ailments. Profoundly combating fungal infections like Candidiasis through its formidable antifungal properties, this compound showcases tremendous versatility by manifesting exemplary antioxidant activity.

Chemical Information

Synonyms	6,7,8,9-tetrahydro-6,8,8,9-tetramethyl-4-(trifluoromethyl)-2H-pyrano-[3,2-g]-quinolin-2-one; 6,8,8,9-tetramethyl-4-(trifluoromethyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one
IUPAC Name	6,8,8,9-tetramethyl-4-(trifluoromethyl)-6,7-dihydropyrano[3,2-g]quinolin-2-one
Canonical SMILES	CC1CC(N(C2=C1C=C3C(=CC(=O)OC3=C2)C(F)(F)F)C)(C)C
InChI	InChI=1S/C17H18F3NO2/c1-9-8-16(2,3)21(4)13-7-14-11(5-10(9)13)12(17(18,19)20)6-15(22)23-14/h5-7,9H,8H2,1-4H3
InChI Key	UOVDZZRWHNUEGA-UHFFFAOYSA-N
Appearance	Yellow Solid

Computed Properties
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	325.12896330 g/mol
Monoisotopic Mass	325.12896330 g/mol
Topological Polar Surface Area	29.5Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	540
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes