Coumarin 498 | CAS 87331-48-4

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Product Introduction

Efficient fluorescent coumarin dye with broad excitation range. Ideal for multiphoton microscopy and photophysical research.

Synonyms	2,3,6,7-tetrahydro-10-(methylsulfonyl)-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
IUPAC Name	5-methylsulfonyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
Canonical SMILES	CS(=O)(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3
InChI	InChI=1S/C16H17NO4S/c1-22(19,20)13-9-11-8-10-4-2-6-17-7-3-5-12(14(10)17)15(11)21-16(13)18/h8-9H,2-7H2,1H3
InChIKey	DPJWIXMOCGJKDG-UHFFFAOYSA-N

XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	319.08782920 g/mol
Monoisotopic Mass	319.08782920 g/mol
Topological Polar Surface Area	72.1Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	621
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