3'-O-Methylfluorescein - CAS 70672-05-8

Catalog:	BB058958
Product Name:	3'-O-Methylfluorescein
CAS:	70672-05-8
Synonyms:	3'-Hydroxy-6'-methoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Technical Data

IUPAC Name:	3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Description:	3'-O-Methylfluorescein is an intermediate in the synthesis of 3-O-Methylfluorescein Phosphate Bis-Cyclohexylammonium Salt (M227495), which is used in fluorimetric studies. It can be used as reactant in multifunctional phosphate- based inorganic- organic hybrid nanoparticles.
Molecular Weight:	346.33
Molecular Formula:	C21H14O5
Canonical SMILES:	COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5C(=O)O3
InChI:	InChI=1S/C21H14O5/c1-24-13-7-9-17-19(11-13)25-18-10-12(22)6-8-16(18)21(17)15-5-3-2-4-14(15)20(23)26-21/h2-11,22H,1H3
InChI Key:	KDXNYSZNOWTPLE-UHFFFAOYSA-N
Melting Point:	253.69-256.34°C
Solubility:	DMSO (Sparingly), Methanol (Slightly)
Appearance:	Yellow Solid
Storage:	-20°C, Inert atmosphere
References:	Heck, J. G., et al. J Am Chem Soc, 137, 7329 (2015).

Complexity:	565
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	346.08412354
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	346.08412354
Rotatable Bond Count:	1
Topological Polar Surface Area:	65Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7