Coumarin 522B

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Coumarin 522B

Coumarin 522B

Catalog Number A17-0059
Category Laser Dyes
Molecular Formula C17H18F3NO2
Molecular Weight 325.331
Catalog Number Size Price Quantity
A17-0059 -- $--

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 29.5Ų
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
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