4-Carboxymethyl-6,7-methylenedioxycoumarin | 97744-77-9

Product Introduction

4-Carboxymethyl-6,7-methylenedioxycoumarin is a biomedical chemical that embodies an extensive application in the realm of scientific research and diagnostics. This fluorescent probe, revered for its exceptional photophysical traits, serves as an indispensable tool in the world of protein and peptide labeling, promoting their insightful visualization and meticulous analysis. By virtue of its prowess, 4-Carboxymethyl-6,7-methylenedioxycoumarin unravels novel avenues in drug discovery, protein mapping, and the comprehension of pernicious ailments, including cancer and neurodegenerative disorders.

Chemical Information
Synonyms	2-(6-oxo-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid; 2-(6-Oxo-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid; 2-(6-Oxo-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aceticacid; (6-Oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)acetic acid
Purity	>95.0%(T)
IUPAC Name	2-(6-oxo-[1,3]dioxolo[4,5-g]chromen-8-yl)acetic acid
Canonical SMILES	C1OC2=C(O1)C=C3C(=C2)C(=CC(=O)O3)CC(=O)O
InChI	InChI=1S/C12H8O6/c13-11(14)1-6-2-12(15)18-8-4-10-9(3-7(6)8)16-5-17-10/h2-4H,1,5H2,(H,13,14)
InChI Key	PIHRLFGNZWHKIO-UHFFFAOYSA-N
Appearance	Solid
Melting Point	195 °C
MDL Number	MFCD00143278

Product Specification
Condition To Avoid	Light Sensitive

Computed Properties
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	248.03208797 g/mol
Monoisotopic Mass	248.03208797 g/mol
Topological Polar Surface Area	82.1Ų
Heavy Atom Count	18
Formal Charge	0
Complexity	415
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

Patents

Publication Number	Title	Priority Date
EP-2694707-A1	Monomers capable of dimerizing in an aqueous solution, and methods of using same	2011-04-07
EP-2694707-B1	Monomers capable of dimerizing in an aqueous solution, and methods of using same	2011-04-07
JP-2014512364-A	Monomers that can dimerize in aqueous solution and methods of use thereof	2011-04-07
US-2014161729-A1	Cofluorons and methods of making and using them	2011-04-07
US-2014194383-A1	Monomers capable of dimerizing in an aqueous solution, and methods of using same	2011-04-07