Coumarin 521T | CAS 114768-72-8

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Product Introduction

Thermochromic fluorescent dye with temperature-dependent emission. Used for polymer sensing and optical thermometry.

Synonyms	10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one; Coumarin 334T
IUPAC Name	5-acetyl-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Canonical SMILES	CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C
InChI	InChI=1S/C21H25NO3/c1-12(23)14-10-13-11-15-17-16(18(13)25-19(14)24)21(4,5)7-9-22(17)8-6-20(15,2)3/h10-11H,6-9H2,1-5H3
InChIKey	NGTDVJOJDMQAMI-UHFFFAOYSA-N

XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	339.18344366 g/mol
Monoisotopic Mass	339.18344366 g/mol
Topological Polar Surface Area	46.6Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	648
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Publication Number	Title	Priority Date
WO-2022044759-A1	Composition containing semiconductor nanoparticles, color filter, and image display device	2020-08-31
US-2022411692-A1	Composition containing semiconductor nanoparticles, color filter, and image display device	2020-02-10
US-2021193943-A1	Light-Emitting Element, Display Device, Electronic Device, and Lighting Device	2017-10-27
EP-3398975-A1	Photosensitive composition	2015-12-29
US-2018373145-A1	Photosensitive composition	2015-12-29